(1S,3aS,3bS,9aR,9bS,11aS)-6,9a,11a-trimethyl-1-(1H-pyrrole-2-carbonyl)-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-7-one

C24H32N2O2 — CID 118718200

IUPAC(1S,3aS,3bS,9aR,9bS,11aS)-6,9a,11a-trimethyl-1-(1H-pyrrole-2-carbonyl)-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-7-one
SMILESCN1C(=O)C=C[C@@]2(C)C1CC[C@H]1[C@@H]3CC[C@H](C(=O)c4ccc[nH]4)[C@@]3(C)CC[C@@H]12
InChIInChI=1S/C24H32N2O2/c1-23-12-10-17-15(6-9-20-24(17,2)13-11-21(27)26(20)3)16(23)7-8-18(23)22(28)19-5-4-14-25-19/h4-5,11,13-18,20,25H,6-10,12H2,1-3H3/t15-,16-,17-,18+,20?,23-,24+/m0/s1
InChIKeyADCZPIWAYHWQLK-GZRQTYAVSA-N
MW380.53 g/mol
LogP4.45
Rot. Bonds2

About (1S,3aS,3bS,9aR,9bS,11aS)-6,9a,11a-trimethyl-1-(1H-pyrrole-2-carbonyl)-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-7-one

(1S,3aS,3bS,9aR,9bS,11aS)-6,9a,11a-trimethyl-1-(1H-pyrrole-2-carbonyl)-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-7-one (PubChem CID 118718200) has the molecular formula C24H32N2O2 and a molecular weight of 380.53 g/mol. Its IUPAC name is (1S,3aS,3bS,9aR,9bS,11aS)-6,9a,11a-trimethyl-1-(1H-pyrrole-2-carbonyl)-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-7-one.

Molecular Properties

Compound Name(1S,3aS,3bS,9aR,9bS,11aS)-6,9a,11a-trimethyl-1-(1H-pyrrole-2-carbonyl)-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-7-one
PubChem CID118718200
Molecular FormulaC24H32N2O2
Molecular Weight380.53 g/mol
Exact Mass380.25
IUPAC Name(1S,3aS,3bS,9aR,9bS,11aS)-6,9a,11a-trimethyl-1-(1H-pyrrole-2-carbonyl)-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-7-one
SMILESCN1C(=O)C=C[C@@]2(C)C1CC[C@H]1[C@@H]3CC[C@H](C(=O)c4ccc[nH]4)[C@@]3(C)CC[C@@H]12
InChIInChI=1S/C24H32N2O2/c1-23-12-10-17-15(6-9-20-24(17,2)13-11-21(27)26(20)3)16(23)7-8-18(23)22(28)19-5-4-14-25-19/h4-5,11,13-18,20,25H,6-10,12H2,1-3H3/t15-,16-,17-,18+,20?,23-,24+/m0/s1
InChIKeyADCZPIWAYHWQLK-GZRQTYAVSA-N
XLogP4.45
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S,3aS,3bS,9aR,9bS,11aS)-6,9a,11a-trimethyl-1-(1H-pyrrole-2-carbonyl)-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-7-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S,3aS,3bS,9aR,9bS,11aS)-6,9a,11a-trimethyl-1-(1H-pyrrole-2-carbonyl)-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-7-one?
The IUPAC name of (1S,3aS,3bS,9aR,9bS,11aS)-6,9a,11a-trimethyl-1-(1H-pyrrole-2-carbonyl)-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-7-one (CID 118718200) is (1S,3aS,3bS,9aR,9bS,11aS)-6,9a,11a-trimethyl-1-(1H-pyrrole-2-carbonyl)-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-7-one.
What is the SMILES notation for (1S,3aS,3bS,9aR,9bS,11aS)-6,9a,11a-trimethyl-1-(1H-pyrrole-2-carbonyl)-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-7-one?
The canonical SMILES for (1S,3aS,3bS,9aR,9bS,11aS)-6,9a,11a-trimethyl-1-(1H-pyrrole-2-carbonyl)-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-7-one is CN1C(=O)C=C[C@@]2(C)C1CC[C@H]1[C@@H]3CC[C@H](C(=O)c4ccc[nH]4)[C@@]3(C)CC[C@@H]12.
What is the InChIKey of (1S,3aS,3bS,9aR,9bS,11aS)-6,9a,11a-trimethyl-1-(1H-pyrrole-2-carbonyl)-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-7-one?
The InChIKey is ADCZPIWAYHWQLK-GZRQTYAVSA-N. The full InChI is InChI=1S/C24H32N2O2/c1-23-12-10-17-15(6-9-20-24(17,2)13-11-21(27)26(20)3)16(23)7-8-18(23)22(28)19-5-4-14-25-19/h4-5,11,13-18,20,25H,6-10,12H2,1-3H3/t15-,16-,17-,18+,20?,23-,24+/m0/s1.
What are the key properties of (1S,3aS,3bS,9aR,9bS,11aS)-6,9a,11a-trimethyl-1-(1H-pyrrole-2-carbonyl)-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-7-one?
(1S,3aS,3bS,9aR,9bS,11aS)-6,9a,11a-trimethyl-1-(1H-pyrrole-2-carbonyl)-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-7-one has a molecular weight of 380.53 g/mol, XLogP of 4.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3aS,3bS,9aR,9bS,11aS)-6,9a,11a-trimethyl-1-(1H-pyrrole-2-carbonyl)-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-7-one is sourced from PubChem (CID 118718200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).