3-cyclopropyl-6-[1-(3,4-dimethylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethyl]-1H-pyridin-2-one

C22H26N2O2 — CID 58452789

IUPAC3-cyclopropyl-6-[1-(3,4-dimethylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethyl]-1H-pyridin-2-one
SMILESCc1ccc(C(C[C@H]2CCC(=O)N2)c2ccc(C3CC3)c(=O)[nH]2)cc1C
InChIInChI=1S/C22H26N2O2/c1-13-3-4-16(11-14(13)2)19(12-17-7-10-21(25)23-17)20-9-8-18(15-5-6-15)22(26)24-20/h3-4,8-9,11,15,17,19H,5-7,10,12H2,1-2H3,(H,23,25)(H,24,26)/t17-,19?/m1/s1
InChIKeyHMMCTFLPIRNNCR-DUSLRRAJSA-N
MW350.46 g/mol
LogP3.67
Rot. Bonds5

About 3-cyclopropyl-6-[1-(3,4-dimethylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethyl]-1H-pyridin-2-one

3-cyclopropyl-6-[1-(3,4-dimethylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethyl]-1H-pyridin-2-one (PubChem CID 58452789) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 3-cyclopropyl-6-[1-(3,4-dimethylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-cyclopropyl-6-[1-(3,4-dimethylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethyl]-1H-pyridin-2-one
PubChem CID58452789
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name3-cyclopropyl-6-[1-(3,4-dimethylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethyl]-1H-pyridin-2-one
SMILESCc1ccc(C(C[C@H]2CCC(=O)N2)c2ccc(C3CC3)c(=O)[nH]2)cc1C
InChIInChI=1S/C22H26N2O2/c1-13-3-4-16(11-14(13)2)19(12-17-7-10-21(25)23-17)20-9-8-18(15-5-6-15)22(26)24-20/h3-4,8-9,11,15,17,19H,5-7,10,12H2,1-2H3,(H,23,25)(H,24,26)/t17-,19?/m1/s1
InChIKeyHMMCTFLPIRNNCR-DUSLRRAJSA-N
XLogP3.67
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-6-[1-(3,4-dimethylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethyl]-1H-pyridin-2-one?
The IUPAC name of 3-cyclopropyl-6-[1-(3,4-dimethylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethyl]-1H-pyridin-2-one (CID 58452789) is 3-cyclopropyl-6-[1-(3,4-dimethylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-cyclopropyl-6-[1-(3,4-dimethylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethyl]-1H-pyridin-2-one?
The canonical SMILES for 3-cyclopropyl-6-[1-(3,4-dimethylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethyl]-1H-pyridin-2-one is Cc1ccc(C(C[C@H]2CCC(=O)N2)c2ccc(C3CC3)c(=O)[nH]2)cc1C.
What is the InChIKey of 3-cyclopropyl-6-[1-(3,4-dimethylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethyl]-1H-pyridin-2-one?
The InChIKey is HMMCTFLPIRNNCR-DUSLRRAJSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-13-3-4-16(11-14(13)2)19(12-17-7-10-21(25)23-17)20-9-8-18(15-5-6-15)22(26)24-20/h3-4,8-9,11,15,17,19H,5-7,10,12H2,1-2H3,(H,23,25)(H,24,26)/t17-,19?/m1/s1.
What are the key properties of 3-cyclopropyl-6-[1-(3,4-dimethylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethyl]-1H-pyridin-2-one?
3-cyclopropyl-6-[1-(3,4-dimethylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethyl]-1H-pyridin-2-one has a molecular weight of 350.46 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-6-[1-(3,4-dimethylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethyl]-1H-pyridin-2-one is sourced from PubChem (CID 58452789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).