1-cyclohexyl-4-(5-hydroxy-1,3-dihydroisoindole-2-carbonyl)pyrrolidin-2-one

C19H24N2O3 — CID 146108040

IUPAC1-cyclohexyl-4-(5-hydroxy-1,3-dihydroisoindole-2-carbonyl)pyrrolidin-2-one
SMILESO=C(C1CC(=O)N(C2CCCCC2)C1)N1Cc2ccc(O)cc2C1
InChIInChI=1S/C19H24N2O3/c22-17-7-6-13-10-20(11-14(13)8-17)19(24)15-9-18(23)21(12-15)16-4-2-1-3-5-16/h6-8,15-16,22H,1-5,9-12H2
InChIKeySXDAQTISDWJDOK-UHFFFAOYSA-N
MW328.41 g/mol
LogP2.42
Rot. Bonds2

About 1-cyclohexyl-4-(5-hydroxy-1,3-dihydroisoindole-2-carbonyl)pyrrolidin-2-one

1-cyclohexyl-4-(5-hydroxy-1,3-dihydroisoindole-2-carbonyl)pyrrolidin-2-one (PubChem CID 146108040) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 1-cyclohexyl-4-(5-hydroxy-1,3-dihydroisoindole-2-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-cyclohexyl-4-(5-hydroxy-1,3-dihydroisoindole-2-carbonyl)pyrrolidin-2-one
PubChem CID146108040
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name1-cyclohexyl-4-(5-hydroxy-1,3-dihydroisoindole-2-carbonyl)pyrrolidin-2-one
SMILESO=C(C1CC(=O)N(C2CCCCC2)C1)N1Cc2ccc(O)cc2C1
InChIInChI=1S/C19H24N2O3/c22-17-7-6-13-10-20(11-14(13)8-17)19(24)15-9-18(23)21(12-15)16-4-2-1-3-5-16/h6-8,15-16,22H,1-5,9-12H2
InChIKeySXDAQTISDWJDOK-UHFFFAOYSA-N
XLogP2.42
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-4-[(3S,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 79403206
4-(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)piperazine-2,6-dione
CID 66085474
1-cyclohexyl-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 4251317
1-cyclopentyl-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-2-one
CID 55359834
1-cyclohexyl-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 2986614
1-cyclopentyl-4-(3-hydroxyazetidine-1-carbonyl)pyrrolidin-2-one
CID 55179169
(4S)-1-cyclopentyl-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 9364634
(4R)-1-cyclopentyl-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 9364632
1-cyclohexyl-4-(3,5-dimethylpiperidine-1-carbonyl)pyrrolidin-2-one
CID 17257425
(3R)-1-cyclohexyl-5-oxopyrrolidine-3-carboxylate
CID 6920281
(4R)-4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1-cyclopentylpyrrolidin-2-one
CID 27536013
cyclopentyl-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 47180816

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-(5-hydroxy-1,3-dihydroisoindole-2-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-cyclohexyl-4-(5-hydroxy-1,3-dihydroisoindole-2-carbonyl)pyrrolidin-2-one (CID 146108040) is 1-cyclohexyl-4-(5-hydroxy-1,3-dihydroisoindole-2-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-cyclohexyl-4-(5-hydroxy-1,3-dihydroisoindole-2-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-cyclohexyl-4-(5-hydroxy-1,3-dihydroisoindole-2-carbonyl)pyrrolidin-2-one is O=C(C1CC(=O)N(C2CCCCC2)C1)N1Cc2ccc(O)cc2C1.
What is the InChIKey of 1-cyclohexyl-4-(5-hydroxy-1,3-dihydroisoindole-2-carbonyl)pyrrolidin-2-one?
The InChIKey is SXDAQTISDWJDOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c22-17-7-6-13-10-20(11-14(13)8-17)19(24)15-9-18(23)21(12-15)16-4-2-1-3-5-16/h6-8,15-16,22H,1-5,9-12H2.
What are the key properties of 1-cyclohexyl-4-(5-hydroxy-1,3-dihydroisoindole-2-carbonyl)pyrrolidin-2-one?
1-cyclohexyl-4-(5-hydroxy-1,3-dihydroisoindole-2-carbonyl)pyrrolidin-2-one has a molecular weight of 328.41 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-(5-hydroxy-1,3-dihydroisoindole-2-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 146108040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).