1-[2-[6-(3-chlorophenyl)-3-azabicyclo[3.2.0]heptan-3-yl]ethyl]-3,3-dimethylindol-2-one

C24H27ClN2O — CID 19963651

IUPAC1-[2-[6-(3-chlorophenyl)-3-azabicyclo[3.2.0]heptan-3-yl]ethyl]-3,3-dimethylindol-2-one
SMILESCC1(C)C(=O)N(CCN2CC3CC(c4cccc(Cl)c4)C3C2)c2ccccc21
InChIInChI=1S/C24H27ClN2O/c1-24(2)21-8-3-4-9-22(21)27(23(24)28)11-10-26-14-17-13-19(20(17)15-26)16-6-5-7-18(25)12-16/h3-9,12,17,19-20H,10-11,13-15H2,1-2H3
InChIKeyKRSCKFGHHCPQPA-UHFFFAOYSA-N
MW394.95 g/mol
LogP4.70
Rot. Bonds4

About 1-[2-[6-(3-chlorophenyl)-3-azabicyclo[3.2.0]heptan-3-yl]ethyl]-3,3-dimethylindol-2-one

1-[2-[6-(3-chlorophenyl)-3-azabicyclo[3.2.0]heptan-3-yl]ethyl]-3,3-dimethylindol-2-one (PubChem CID 19963651) has the molecular formula C24H27ClN2O and a molecular weight of 394.95 g/mol. Its IUPAC name is 1-[2-[6-(3-chlorophenyl)-3-azabicyclo[3.2.0]heptan-3-yl]ethyl]-3,3-dimethylindol-2-one.

Molecular Properties

Compound Name1-[2-[6-(3-chlorophenyl)-3-azabicyclo[3.2.0]heptan-3-yl]ethyl]-3,3-dimethylindol-2-one
PubChem CID19963651
Molecular FormulaC24H27ClN2O
Molecular Weight394.95 g/mol
Exact Mass394.18
IUPAC Name1-[2-[6-(3-chlorophenyl)-3-azabicyclo[3.2.0]heptan-3-yl]ethyl]-3,3-dimethylindol-2-one
SMILESCC1(C)C(=O)N(CCN2CC3CC(c4cccc(Cl)c4)C3C2)c2ccccc21
InChIInChI=1S/C24H27ClN2O/c1-24(2)21-8-3-4-9-22(21)27(23(24)28)11-10-26-14-17-13-19(20(17)15-26)16-6-5-7-18(25)12-16/h3-9,12,17,19-20H,10-11,13-15H2,1-2H3
InChIKeyKRSCKFGHHCPQPA-UHFFFAOYSA-N
XLogP4.70
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.95
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[2-[6-(3-chlorophenyl)-3-azabicyclo[3.2.0]heptan-3-yl]ethyl]-3,3-dimethylindol-2-one with MolForge

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Related Compounds

2-anilino-5-[2-[6-(3-chlorophenyl)-3-azabicyclo[3.2.0]heptan-3-yl]ethyl]-3,6-dimethylpyrimidin-4-one
CID 19963646
4-[6-(3-chlorophenyl)-3-azabicyclo[3.2.0]heptan-3-yl]-1-(4-fluorophenyl)butan-1-ol
CID 22405811
6-[2-[6-(3-chlorophenyl)-3-azabicyclo[3.2.0]heptan-3-yl]ethyl]-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 19001838
1-chloro-3-[(1R,2S)-2-cyclopropylcyclopropyl]benzene
CID 54091231
1'-chloro-3-(3-chlorophenyl)-5-(3-methylphenyl)spiro[cyclohexane-4,3'-indole]-1,2'-dione
CID 141220681
1-(3-bromopropyl)-3,3-dimethylindol-2-one
CID 15881759
N-methyl-N-[2-(6-phenyl-3-azabicyclo[3.2.0]heptan-3-yl)ethyl]benzamide
CID 22405818
1-but-3-ynyl-3,3-dimethylindol-2-one
CID 80500280
1-[2-[4-(7-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3,3-dimethylindol-2-one
CID 70287990
1-(3-methoxypropyl)-3,3-dimethylindol-2-one
CID 66707162
1-(5-bromopentyl)-3,3-dimethylindol-2-one
CID 80500399
1-(5-bromo-3-methylpentyl)-3,3-dimethylindol-2-one
CID 80500132

Frequently Asked Questions

What is the IUPAC name of 1-[2-[6-(3-chlorophenyl)-3-azabicyclo[3.2.0]heptan-3-yl]ethyl]-3,3-dimethylindol-2-one?
The IUPAC name of 1-[2-[6-(3-chlorophenyl)-3-azabicyclo[3.2.0]heptan-3-yl]ethyl]-3,3-dimethylindol-2-one (CID 19963651) is 1-[2-[6-(3-chlorophenyl)-3-azabicyclo[3.2.0]heptan-3-yl]ethyl]-3,3-dimethylindol-2-one.
What is the SMILES notation for 1-[2-[6-(3-chlorophenyl)-3-azabicyclo[3.2.0]heptan-3-yl]ethyl]-3,3-dimethylindol-2-one?
The canonical SMILES for 1-[2-[6-(3-chlorophenyl)-3-azabicyclo[3.2.0]heptan-3-yl]ethyl]-3,3-dimethylindol-2-one is CC1(C)C(=O)N(CCN2CC3CC(c4cccc(Cl)c4)C3C2)c2ccccc21.
What is the InChIKey of 1-[2-[6-(3-chlorophenyl)-3-azabicyclo[3.2.0]heptan-3-yl]ethyl]-3,3-dimethylindol-2-one?
The InChIKey is KRSCKFGHHCPQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN2O/c1-24(2)21-8-3-4-9-22(21)27(23(24)28)11-10-26-14-17-13-19(20(17)15-26)16-6-5-7-18(25)12-16/h3-9,12,17,19-20H,10-11,13-15H2,1-2H3.
What are the key properties of 1-[2-[6-(3-chlorophenyl)-3-azabicyclo[3.2.0]heptan-3-yl]ethyl]-3,3-dimethylindol-2-one?
1-[2-[6-(3-chlorophenyl)-3-azabicyclo[3.2.0]heptan-3-yl]ethyl]-3,3-dimethylindol-2-one has a molecular weight of 394.95 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[6-(3-chlorophenyl)-3-azabicyclo[3.2.0]heptan-3-yl]ethyl]-3,3-dimethylindol-2-one is sourced from PubChem (CID 19963651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).