(Z)-[(8'R,9'S,10'S,13'S,14'S)-2',10',13'-trimethylspiro[1,3-dioxolane-2,3'-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene]-17'-ylidene]hydrazine

C22H36N2O2 — CID 172916676

IUPAC(Z)-[(8'R,9'S,10'S,13'S,14'S)-2',10',13'-trimethylspiro[1,3-dioxolane-2,3'-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene]-17'-ylidene]hydrazine
SMILESCC1C[C@@]2(C)C(CC[C@@H]3[C@@H]2CC[C@]2(C)/C(=N\N)CC[C@@H]32)CC12OCCO2
InChIInChI=1S/C22H36N2O2/c1-14-12-21(3)15(13-22(14)25-10-11-26-22)4-5-16-17-6-7-19(24-23)20(17,2)9-8-18(16)21/h14-18H,4-13,23H2,1-3H3/b24-19-/t14?,15?,16-,17-,18-,20-,21-/m0/s1
InChIKeyLKDMVWOGWWWVJY-ANPYCDAZSA-N
MW360.54 g/mol
LogP4.33
Rot. Bonds

About (Z)-[(8'R,9'S,10'S,13'S,14'S)-2',10',13'-trimethylspiro[1,3-dioxolane-2,3'-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene]-17'-ylidene]hydrazine

(Z)-[(8'R,9'S,10'S,13'S,14'S)-2',10',13'-trimethylspiro[1,3-dioxolane-2,3'-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene]-17'-ylidene]hydrazine (PubChem CID 172916676) has the molecular formula C22H36N2O2 and a molecular weight of 360.54 g/mol. Its IUPAC name is (Z)-[(8'R,9'S,10'S,13'S,14'S)-2',10',13'-trimethylspiro[1,3-dioxolane-2,3'-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene]-17'-ylidene]hydrazine.

Molecular Properties

Compound Name(Z)-[(8'R,9'S,10'S,13'S,14'S)-2',10',13'-trimethylspiro[1,3-dioxolane-2,3'-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene]-17'-ylidene]hydrazine
PubChem CID172916676
Molecular FormulaC22H36N2O2
Molecular Weight360.54 g/mol
Exact Mass360.28
IUPAC Name(Z)-[(8'R,9'S,10'S,13'S,14'S)-2',10',13'-trimethylspiro[1,3-dioxolane-2,3'-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene]-17'-ylidene]hydrazine
SMILESCC1C[C@@]2(C)C(CC[C@@H]3[C@@H]2CC[C@]2(C)/C(=N\N)CC[C@@H]32)CC12OCCO2
InChIInChI=1S/C22H36N2O2/c1-14-12-21(3)15(13-22(14)25-10-11-26-22)4-5-16-17-6-7-19(24-23)20(17,2)9-8-18(16)21/h14-18H,4-13,23H2,1-3H3/b24-19-/t14?,15?,16-,17-,18-,20-,21-/m0/s1
InChIKeyLKDMVWOGWWWVJY-ANPYCDAZSA-N
XLogP4.33
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.54
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(Z)-[(5R,8S,9R,10R,13S,14R)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-ylidene]hydrazine
CID 125028783
(3S,8R,9S,10S,13S,14S)-17-hydrazinylidene-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-ol
CID 123497136
(2S,9S,12R,13S,17S)-16-hydrazinylidene-2,17-dimethyl-6-azatetracyclo[10.7.0.02,9.013,17]nonadecan-5-one
CID 123723030
(3aS,3bR,5aR,9aR,9bS,11aS)-1-hydrazinylidene-9a,11a-dimethyl-3,3a,3b,4,5,5a,6,8,9,9b,10,11-dodecahydro-2H-indeno[5,4-f]quinolin-7-one
CID 70117900
(NE)-N-[(5R,10S,13S)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-ylidene]hydroxylamine
CID 163355755
(NE)-N-[(5S,8S,9S,10R,13R,14S)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-ylidene]hydroxylamine
CID 6339923
(5'S,8'R,9'S,10'R,13'R,14'R)-10',13'-dimethylspiro[1,3-dioxolane-2,3'-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene]-17'-one
CID 11867895
(NZ)-N-[(3Z,5S,8R,9S,10S,13S,14S)-3-hydroxyimino-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ylidene]hydroxylamine
CID 99569058
N-[(3E,5S,10S,13S)-3-hydroxyimino-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ylidene]hydroxylamine
CID 172916707
(5R,8S,9R,10S,13S,14S)-N-cyclohexyl-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-imine
CID 124906078
(5S,8R,9S,10S,13S,14S)-17-hydroxyimino-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
CID 154341751
(E)-[(3Z,8R,9S,10R,13S,14R)-3-hydrazinylidene-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-ylidene]hydrazine
CID 172962766

Frequently Asked Questions

What is the IUPAC name of (Z)-[(8'R,9'S,10'S,13'S,14'S)-2',10',13'-trimethylspiro[1,3-dioxolane-2,3'-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene]-17'-ylidene]hydrazine?
The IUPAC name of (Z)-[(8'R,9'S,10'S,13'S,14'S)-2',10',13'-trimethylspiro[1,3-dioxolane-2,3'-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene]-17'-ylidene]hydrazine (CID 172916676) is (Z)-[(8'R,9'S,10'S,13'S,14'S)-2',10',13'-trimethylspiro[1,3-dioxolane-2,3'-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene]-17'-ylidene]hydrazine.
What is the SMILES notation for (Z)-[(8'R,9'S,10'S,13'S,14'S)-2',10',13'-trimethylspiro[1,3-dioxolane-2,3'-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene]-17'-ylidene]hydrazine?
The canonical SMILES for (Z)-[(8'R,9'S,10'S,13'S,14'S)-2',10',13'-trimethylspiro[1,3-dioxolane-2,3'-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene]-17'-ylidene]hydrazine is CC1C[C@@]2(C)C(CC[C@@H]3[C@@H]2CC[C@]2(C)/C(=N\N)CC[C@@H]32)CC12OCCO2.
What is the InChIKey of (Z)-[(8'R,9'S,10'S,13'S,14'S)-2',10',13'-trimethylspiro[1,3-dioxolane-2,3'-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene]-17'-ylidene]hydrazine?
The InChIKey is LKDMVWOGWWWVJY-ANPYCDAZSA-N. The full InChI is InChI=1S/C22H36N2O2/c1-14-12-21(3)15(13-22(14)25-10-11-26-22)4-5-16-17-6-7-19(24-23)20(17,2)9-8-18(16)21/h14-18H,4-13,23H2,1-3H3/b24-19-/t14?,15?,16-,17-,18-,20-,21-/m0/s1.
What are the key properties of (Z)-[(8'R,9'S,10'S,13'S,14'S)-2',10',13'-trimethylspiro[1,3-dioxolane-2,3'-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene]-17'-ylidene]hydrazine?
(Z)-[(8'R,9'S,10'S,13'S,14'S)-2',10',13'-trimethylspiro[1,3-dioxolane-2,3'-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene]-17'-ylidene]hydrazine has a molecular weight of 360.54 g/mol, XLogP of 4.33, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-[(8'R,9'S,10'S,13'S,14'S)-2',10',13'-trimethylspiro[1,3-dioxolane-2,3'-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene]-17'-ylidene]hydrazine is sourced from PubChem (CID 172916676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).