(8aR)-2,2,4-trimethyl-6,8a-di(propan-2-yl)-8,9-dihydrocyclopenta[g]quinolin-7-one

C21H29NO — CID 90670767

IUPAC(8aR)-2,2,4-trimethyl-6,8a-di(propan-2-yl)-8,9-dihydrocyclopenta[g]quinolin-7-one
SMILESCC1=CC(C)(C)N=C2C[C@]3(C(C)C)CC(=O)C(C(C)C)=C3C=C12
InChIInChI=1S/C21H29NO/c1-12(2)19-16-8-15-14(5)9-20(6,7)22-17(15)10-21(16,13(3)4)11-18(19)23/h8-9,12-13H,10-11H2,1-7H3/t21-/m1/s1
InChIKeyODJKLTMZWLSOQR-OAQYLSRUSA-N
MW311.47 g/mol
LogP5.06
Rot. Bonds2

About (8aR)-2,2,4-trimethyl-6,8a-di(propan-2-yl)-8,9-dihydrocyclopenta[g]quinolin-7-one

(8aR)-2,2,4-trimethyl-6,8a-di(propan-2-yl)-8,9-dihydrocyclopenta[g]quinolin-7-one (PubChem CID 90670767) has the molecular formula C21H29NO and a molecular weight of 311.47 g/mol. Its IUPAC name is (8aR)-2,2,4-trimethyl-6,8a-di(propan-2-yl)-8,9-dihydrocyclopenta[g]quinolin-7-one.

Molecular Properties

Compound Name(8aR)-2,2,4-trimethyl-6,8a-di(propan-2-yl)-8,9-dihydrocyclopenta[g]quinolin-7-one
PubChem CID90670767
Molecular FormulaC21H29NO
Molecular Weight311.47 g/mol
Exact Mass311.22
IUPAC Name(8aR)-2,2,4-trimethyl-6,8a-di(propan-2-yl)-8,9-dihydrocyclopenta[g]quinolin-7-one
SMILESCC1=CC(C)(C)N=C2C[C@]3(C(C)C)CC(=O)C(C(C)C)=C3C=C12
InChIInChI=1S/C21H29NO/c1-12(2)19-16-8-15-14(5)9-20(6,7)22-17(15)10-21(16,13(3)4)11-18(19)23/h8-9,12-13H,10-11H2,1-7H3/t21-/m1/s1
InChIKeyODJKLTMZWLSOQR-OAQYLSRUSA-N
XLogP5.06
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.47
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (8aR)-2,2,4-trimethyl-6,8a-di(propan-2-yl)-8,9-dihydrocyclopenta[g]quinolin-7-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (8aR)-2,2,4-trimethyl-6,8a-di(propan-2-yl)-8,9-dihydrocyclopenta[g]quinolin-7-one?
The IUPAC name of (8aR)-2,2,4-trimethyl-6,8a-di(propan-2-yl)-8,9-dihydrocyclopenta[g]quinolin-7-one (CID 90670767) is (8aR)-2,2,4-trimethyl-6,8a-di(propan-2-yl)-8,9-dihydrocyclopenta[g]quinolin-7-one.
What is the SMILES notation for (8aR)-2,2,4-trimethyl-6,8a-di(propan-2-yl)-8,9-dihydrocyclopenta[g]quinolin-7-one?
The canonical SMILES for (8aR)-2,2,4-trimethyl-6,8a-di(propan-2-yl)-8,9-dihydrocyclopenta[g]quinolin-7-one is CC1=CC(C)(C)N=C2C[C@]3(C(C)C)CC(=O)C(C(C)C)=C3C=C12.
What is the InChIKey of (8aR)-2,2,4-trimethyl-6,8a-di(propan-2-yl)-8,9-dihydrocyclopenta[g]quinolin-7-one?
The InChIKey is ODJKLTMZWLSOQR-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H29NO/c1-12(2)19-16-8-15-14(5)9-20(6,7)22-17(15)10-21(16,13(3)4)11-18(19)23/h8-9,12-13H,10-11H2,1-7H3/t21-/m1/s1.
What are the key properties of (8aR)-2,2,4-trimethyl-6,8a-di(propan-2-yl)-8,9-dihydrocyclopenta[g]quinolin-7-one?
(8aR)-2,2,4-trimethyl-6,8a-di(propan-2-yl)-8,9-dihydrocyclopenta[g]quinolin-7-one has a molecular weight of 311.47 g/mol, XLogP of 5.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8aR)-2,2,4-trimethyl-6,8a-di(propan-2-yl)-8,9-dihydrocyclopenta[g]quinolin-7-one is sourced from PubChem (CID 90670767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).