(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

C18H29N3O — CID 70117900

IUPAC(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
SMILESC[C@]12CCC(=O)N[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=NN)CC[C@@H]12
InChIInChI=1S/C18H29N3O/c1-17-10-8-16(22)20-14(17)5-3-11-12-4-6-15(21-19)18(12,2)9-7-13(11)17/h11-14H,3-10,19H2,1-2H3,(H,20,22)/t11-,12-,13-,14+,17+,18-/m0/s1
InChIKeyPMUIWWHNPUFJPA-BYYBLHGYSA-N
MW303.45 g/mol
LogP2.82
Rot. Bonds

About (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

(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 (PubChem CID 70117900) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID70117900
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC Name(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
SMILESC[C@]12CCC(=O)N[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=NN)CC[C@@H]12
InChIInChI=1S/C18H29N3O/c1-17-10-8-16(22)20-14(17)5-3-11-12-4-6-15(21-19)18(12,2)9-7-13(11)17/h11-14H,3-10,19H2,1-2H3,(H,20,22)/t11-,12-,13-,14+,17+,18-/m0/s1
InChIKeyPMUIWWHNPUFJPA-BYYBLHGYSA-N
XLogP2.82
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 52.82
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (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 with MolForge

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Related Compounds

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(1S,3aS,3bS,5aR,9aR,9bS,11aS)-1-(1-aminoethyl)-9a,11a-dimethyl-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinolin-7-one
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(1E)-1-hydrazinylidene-9a,11a-dimethyl-3,3a,3b,4,6,8,9,9b,10,11-decahydro-2H-indeno[5,4-f]quinolin-7-one
CID 87577625
1-(1-hydroxyethyl)-9a,11a-dimethyl-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinolin-7-one
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[(1S,3aS,3bR,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinolin-1-yl] hydrogen carbonate
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[(3aS,3bR,9aR,9bR,11aS)-9a,11a-dimethyl-7-oxo-3,3a,3b,4,5,5a,6,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinolin-1-yl] trifluoromethanesulfonate
CID 56993881

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C[C@]12CCC(=O)N[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=NN)CC[C@@H]12.
What is the InChIKey of (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?
The InChIKey is PMUIWWHNPUFJPA-BYYBLHGYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-17-10-8-16(22)20-14(17)5-3-11-12-4-6-15(21-19)18(12,2)9-7-13(11)17/h11-14H,3-10,19H2,1-2H3,(H,20,22)/t11-,12-,13-,14+,17+,18-/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 303.45 g/mol, XLogP of 2.82, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 70117900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).