(17Z)-17-hydrazinylidene-13-methyl-4,6,9,11,12,14,15,16-octahydro-3H-cyclopenta[a]phenanthren-3-ol

C18H24N2O — CID 172950894

IUPAC(17Z)-17-hydrazinylidene-13-methyl-4,6,9,11,12,14,15,16-octahydro-3H-cyclopenta[a]phenanthren-3-ol
SMILESCC12CCC3C(=CCC4=C3C=CC(O)C4)C1CC/C2=N/N
InChIInChI=1S/C18H24N2O/c1-18-9-8-14-13-5-3-12(21)10-11(13)2-4-15(14)16(18)6-7-17(18)20-19/h3-5,12,14,16,21H,2,6-10,19H2,1H3/b20-17-
InChIKeyAYGOSLZDPOFBHY-JZJYNLBNSA-N
MW284.40 g/mol
LogP3.07
Rot. Bonds

About (17Z)-17-hydrazinylidene-13-methyl-4,6,9,11,12,14,15,16-octahydro-3H-cyclopenta[a]phenanthren-3-ol

(17Z)-17-hydrazinylidene-13-methyl-4,6,9,11,12,14,15,16-octahydro-3H-cyclopenta[a]phenanthren-3-ol (PubChem CID 172950894) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is (17Z)-17-hydrazinylidene-13-methyl-4,6,9,11,12,14,15,16-octahydro-3H-cyclopenta[a]phenanthren-3-ol.

Molecular Properties

Compound Name(17Z)-17-hydrazinylidene-13-methyl-4,6,9,11,12,14,15,16-octahydro-3H-cyclopenta[a]phenanthren-3-ol
PubChem CID172950894
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name(17Z)-17-hydrazinylidene-13-methyl-4,6,9,11,12,14,15,16-octahydro-3H-cyclopenta[a]phenanthren-3-ol
SMILESCC12CCC3C(=CCC4=C3C=CC(O)C4)C1CC/C2=N/N
InChIInChI=1S/C18H24N2O/c1-18-9-8-14-13-5-3-12(21)10-11(13)2-4-15(14)16(18)6-7-17(18)20-19/h3-5,12,14,16,21H,2,6-10,19H2,1H3/b20-17-
InChIKeyAYGOSLZDPOFBHY-JZJYNLBNSA-N
XLogP3.07
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (17Z)-17-hydrazinylidene-13-methyl-4,6,9,11,12,14,15,16-octahydro-3H-cyclopenta[a]phenanthren-3-ol?
The IUPAC name of (17Z)-17-hydrazinylidene-13-methyl-4,6,9,11,12,14,15,16-octahydro-3H-cyclopenta[a]phenanthren-3-ol (CID 172950894) is (17Z)-17-hydrazinylidene-13-methyl-4,6,9,11,12,14,15,16-octahydro-3H-cyclopenta[a]phenanthren-3-ol.
What is the SMILES notation for (17Z)-17-hydrazinylidene-13-methyl-4,6,9,11,12,14,15,16-octahydro-3H-cyclopenta[a]phenanthren-3-ol?
The canonical SMILES for (17Z)-17-hydrazinylidene-13-methyl-4,6,9,11,12,14,15,16-octahydro-3H-cyclopenta[a]phenanthren-3-ol is CC12CCC3C(=CCC4=C3C=CC(O)C4)C1CC/C2=N/N.
What is the InChIKey of (17Z)-17-hydrazinylidene-13-methyl-4,6,9,11,12,14,15,16-octahydro-3H-cyclopenta[a]phenanthren-3-ol?
The InChIKey is AYGOSLZDPOFBHY-JZJYNLBNSA-N. The full InChI is InChI=1S/C18H24N2O/c1-18-9-8-14-13-5-3-12(21)10-11(13)2-4-15(14)16(18)6-7-17(18)20-19/h3-5,12,14,16,21H,2,6-10,19H2,1H3/b20-17-.
What are the key properties of (17Z)-17-hydrazinylidene-13-methyl-4,6,9,11,12,14,15,16-octahydro-3H-cyclopenta[a]phenanthren-3-ol?
(17Z)-17-hydrazinylidene-13-methyl-4,6,9,11,12,14,15,16-octahydro-3H-cyclopenta[a]phenanthren-3-ol has a molecular weight of 284.40 g/mol, XLogP of 3.07, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (17Z)-17-hydrazinylidene-13-methyl-4,6,9,11,12,14,15,16-octahydro-3H-cyclopenta[a]phenanthren-3-ol is sourced from PubChem (CID 172950894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).