(4S)-4-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one

C18H24N2O2 — CID 37028876

IUPAC(4S)-4-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one
SMILESCC(C)CN1C[C@@H](C(=O)N2c3ccccc3C[C@@H]2C)CC1=O
InChIInChI=1S/C18H24N2O2/c1-12(2)10-19-11-15(9-17(19)21)18(22)20-13(3)8-14-6-4-5-7-16(14)20/h4-7,12-13,15H,8-11H2,1-3H3/t13-,15-/m0/s1
InChIKeyKLOJKODAPHUBMI-ZFWWWQNUSA-N
MW300.40 g/mol
LogP2.47
Rot. Bonds3

About (4S)-4-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one

(4S)-4-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one (PubChem CID 37028876) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is (4S)-4-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one
PubChem CID37028876
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name(4S)-4-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one
SMILESCC(C)CN1C[C@@H](C(=O)N2c3ccccc3C[C@@H]2C)CC1=O
InChIInChI=1S/C18H24N2O2/c1-12(2)10-19-11-15(9-17(19)21)18(22)20-13(3)8-14-6-4-5-7-16(14)20/h4-7,12-13,15H,8-11H2,1-3H3/t13-,15-/m0/s1
InChIKeyKLOJKODAPHUBMI-ZFWWWQNUSA-N
XLogP2.47
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-4-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-1-(2-phenylethyl)pyrrolidin-2-one
CID 93250929
1-(2-methoxyethyl)-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one
CID 113182487
1-(2-ethylphenyl)-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one
CID 17120521
1-[2-(cyclohexen-1-yl)ethyl]-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one
CID 113182433
1-[2-(3-chlorophenyl)ethyl]-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one
CID 113185869
(4R)-4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one
CID 37071019
1-(3,5-dimethylphenyl)-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one
CID 17120998
4-(2-methyl-2,3-dihydroindole-1-carbonyl)-1-(4-pyrrolidin-1-ylphenyl)pyrrolidin-2-one
CID 113189841
4-(2-methyl-2,3-dihydroindole-1-carbonyl)-1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 113188614
1-(2,5-dimethylphenyl)-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one
CID 17151966
1-(2-ethyl-6-methylphenyl)-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one
CID 113186494
1-(2,4-dichlorophenyl)-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one
CID 113191026

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one?
The IUPAC name of (4S)-4-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one (CID 37028876) is (4S)-4-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one.
What is the SMILES notation for (4S)-4-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one?
The canonical SMILES for (4S)-4-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one is CC(C)CN1C[C@@H](C(=O)N2c3ccccc3C[C@@H]2C)CC1=O.
What is the InChIKey of (4S)-4-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one?
The InChIKey is KLOJKODAPHUBMI-ZFWWWQNUSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-12(2)10-19-11-15(9-17(19)21)18(22)20-13(3)8-14-6-4-5-7-16(14)20/h4-7,12-13,15H,8-11H2,1-3H3/t13-,15-/m0/s1.
What are the key properties of (4S)-4-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one?
(4S)-4-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one has a molecular weight of 300.40 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one is sourced from PubChem (CID 37028876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).