4-amino-1-cyclohexyl-5-(4-methylphenyl)pyrrolidin-2-one

C17H24N2O — CID 82193297

IUPAC4-amino-1-cyclohexyl-5-(4-methylphenyl)pyrrolidin-2-one
SMILESCc1ccc(C2C(N)CC(=O)N2C2CCCCC2)cc1
InChIInChI=1S/C17H24N2O/c1-12-7-9-13(10-8-12)17-15(18)11-16(20)19(17)14-5-3-2-4-6-14/h7-10,14-15,17H,2-6,11,18H2,1H3
InChIKeyNDGOJVKFXOIUFU-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.93
Rot. Bonds2

About 4-amino-1-cyclohexyl-5-(4-methylphenyl)pyrrolidin-2-one

4-amino-1-cyclohexyl-5-(4-methylphenyl)pyrrolidin-2-one (PubChem CID 82193297) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 4-amino-1-cyclohexyl-5-(4-methylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-amino-1-cyclohexyl-5-(4-methylphenyl)pyrrolidin-2-one
PubChem CID82193297
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name4-amino-1-cyclohexyl-5-(4-methylphenyl)pyrrolidin-2-one
SMILESCc1ccc(C2C(N)CC(=O)N2C2CCCCC2)cc1
InChIInChI=1S/C17H24N2O/c1-12-7-9-13(10-8-12)17-15(18)11-16(20)19(17)14-5-3-2-4-6-14/h7-10,14-15,17H,2-6,11,18H2,1H3
InChIKeyNDGOJVKFXOIUFU-UHFFFAOYSA-N
XLogP2.93
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-cyclohexyl-5-(4-methylphenyl)pyrrolidin-2-one?
The IUPAC name of 4-amino-1-cyclohexyl-5-(4-methylphenyl)pyrrolidin-2-one (CID 82193297) is 4-amino-1-cyclohexyl-5-(4-methylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-amino-1-cyclohexyl-5-(4-methylphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-amino-1-cyclohexyl-5-(4-methylphenyl)pyrrolidin-2-one is Cc1ccc(C2C(N)CC(=O)N2C2CCCCC2)cc1.
What is the InChIKey of 4-amino-1-cyclohexyl-5-(4-methylphenyl)pyrrolidin-2-one?
The InChIKey is NDGOJVKFXOIUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-12-7-9-13(10-8-12)17-15(18)11-16(20)19(17)14-5-3-2-4-6-14/h7-10,14-15,17H,2-6,11,18H2,1H3.
What are the key properties of 4-amino-1-cyclohexyl-5-(4-methylphenyl)pyrrolidin-2-one?
4-amino-1-cyclohexyl-5-(4-methylphenyl)pyrrolidin-2-one has a molecular weight of 272.39 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-cyclohexyl-5-(4-methylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 82193297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).