(E)-[(8S,9R,10S,13S,14S,17R)-17-ethanehydrazonoyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene]hydrazine

C21H34N4 — CID 7464583

IUPAC(E)-[(8S,9R,10S,13S,14S,17R)-17-ethanehydrazonoyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene]hydrazine
SMILESC/C(=N/N)[C@@H]1CC[C@H]2[C@@H]3CCC4=C/C(=N/N)CC[C@@]4(C)[C@@H]3CC[C@]12C
InChIInChI=1S/C21H34N4/c1-13(24-22)17-6-7-18-16-5-4-14-12-15(25-23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,16-19H,4-11,22-23H2,1-3H3/b24-13-,25-15+/t16-,17-,18-,19+,20+,21+/m0/s1
InChIKeyWVLSVRGWXOQKDI-IRYOBLKESA-N
MW342.53 g/mol
LogP4.21
Rot. Bonds1

About (E)-[(8S,9R,10S,13S,14S,17R)-17-ethanehydrazonoyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene]hydrazine

(E)-[(8S,9R,10S,13S,14S,17R)-17-ethanehydrazonoyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene]hydrazine (PubChem CID 7464583) has the molecular formula C21H34N4 and a molecular weight of 342.53 g/mol. Its IUPAC name is (E)-[(8S,9R,10S,13S,14S,17R)-17-ethanehydrazonoyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene]hydrazine.

Molecular Properties

Compound Name(E)-[(8S,9R,10S,13S,14S,17R)-17-ethanehydrazonoyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene]hydrazine
PubChem CID7464583
Molecular FormulaC21H34N4
Molecular Weight342.53 g/mol
Exact Mass342.28
IUPAC Name(E)-[(8S,9R,10S,13S,14S,17R)-17-ethanehydrazonoyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene]hydrazine
SMILESC/C(=N/N)[C@@H]1CC[C@H]2[C@@H]3CCC4=C/C(=N/N)CC[C@@]4(C)[C@@H]3CC[C@]12C
InChIInChI=1S/C21H34N4/c1-13(24-22)17-6-7-18-16-5-4-14-12-15(25-23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,16-19H,4-11,22-23H2,1-3H3/b24-13-,25-15+/t16-,17-,18-,19+,20+,21+/m0/s1
InChIKeyWVLSVRGWXOQKDI-IRYOBLKESA-N
XLogP4.21
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.53
LogP ≤ 54.21
H-Bond Donors ≤ 52
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'}

Analyze (E)-[(8S,9R,10S,13S,14S,17R)-17-ethanehydrazonoyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene]hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(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
(3E,8R,9S,10R,13S,14S,17S)-3-hydroxyimino-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-ol
CID 5488209
2-[[(8R,9R,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene]amino]oxyacetic acid
CID 11872038
2-[[(10R,13S)-17-acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene]amino]oxyacetic acid
CID 170836443
(8S,9R,10S,14S,17S)-17-acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
CID 71200542
(8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
CID 5994
(8S,9R,10S,13S,14R,17R)-17-acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
CID 7059605
(8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
CID 163196495
(8S,9R,10R,13R,14S,17S)-17-acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
CID 163070290
[(E)-1-[(8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]ethylideneamino] acetate
CID 70695056
(8S,9S,10R,13S,14S,17S)-N-tert-butyl-3-hydroxyimino-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-17-carboxamide
CID 141290382
1-[(8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-sulfanylidene-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]ethanone
CID 90702894

Frequently Asked Questions

What is the IUPAC name of (E)-[(8S,9R,10S,13S,14S,17R)-17-ethanehydrazonoyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene]hydrazine?
The IUPAC name of (E)-[(8S,9R,10S,13S,14S,17R)-17-ethanehydrazonoyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene]hydrazine (CID 7464583) is (E)-[(8S,9R,10S,13S,14S,17R)-17-ethanehydrazonoyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene]hydrazine.
What is the SMILES notation for (E)-[(8S,9R,10S,13S,14S,17R)-17-ethanehydrazonoyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene]hydrazine?
The canonical SMILES for (E)-[(8S,9R,10S,13S,14S,17R)-17-ethanehydrazonoyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene]hydrazine is C/C(=N/N)[C@@H]1CC[C@H]2[C@@H]3CCC4=C/C(=N/N)CC[C@@]4(C)[C@@H]3CC[C@]12C.
What is the InChIKey of (E)-[(8S,9R,10S,13S,14S,17R)-17-ethanehydrazonoyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene]hydrazine?
The InChIKey is WVLSVRGWXOQKDI-IRYOBLKESA-N. The full InChI is InChI=1S/C21H34N4/c1-13(24-22)17-6-7-18-16-5-4-14-12-15(25-23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,16-19H,4-11,22-23H2,1-3H3/b24-13-,25-15+/t16-,17-,18-,19+,20+,21+/m0/s1.
What are the key properties of (E)-[(8S,9R,10S,13S,14S,17R)-17-ethanehydrazonoyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene]hydrazine?
(E)-[(8S,9R,10S,13S,14S,17R)-17-ethanehydrazonoyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene]hydrazine has a molecular weight of 342.53 g/mol, XLogP of 4.21, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-[(8S,9R,10S,13S,14S,17R)-17-ethanehydrazonoyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene]hydrazine is sourced from PubChem (CID 7464583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).