1-[4-[(pentan-2-ylamino)methyl]phenyl]pyrrolidin-2-one

C16H24N2O — CID 43203969

IUPAC1-[4-[(pentan-2-ylamino)methyl]phenyl]pyrrolidin-2-one
SMILESCCCC(C)NCc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C16H24N2O/c1-3-5-13(2)17-12-14-7-9-15(10-8-14)18-11-4-6-16(18)19/h7-10,13,17H,3-6,11-12H2,1-2H3
InChIKeyGZNWXBUNDGCXNH-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.09
Rot. Bonds6

About 1-[4-[(pentan-2-ylamino)methyl]phenyl]pyrrolidin-2-one

1-[4-[(pentan-2-ylamino)methyl]phenyl]pyrrolidin-2-one (PubChem CID 43203969) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-[4-[(pentan-2-ylamino)methyl]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-[(pentan-2-ylamino)methyl]phenyl]pyrrolidin-2-one
PubChem CID43203969
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-[4-[(pentan-2-ylamino)methyl]phenyl]pyrrolidin-2-one
SMILESCCCC(C)NCc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C16H24N2O/c1-3-5-13(2)17-12-14-7-9-15(10-8-14)18-11-4-6-16(18)19/h7-10,13,17H,3-6,11-12H2,1-2H3
InChIKeyGZNWXBUNDGCXNH-UHFFFAOYSA-N
XLogP3.09
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[(1,1-difluoropropan-2-ylamino)methyl]phenyl]pyrrolidin-2-one
CID 102867991
1-[4-(propylaminomethyl)phenyl]pyrrolidin-2-one
CID 28658925
4-(2-oxopyrrolidin-1-yl)-N-pentan-2-ylbenzenesulfonamide
CID 43886220
2-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide
CID 24622415
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide
CID 24551216
N-[2-oxo-2-(pentan-2-ylamino)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 46700707
1-[4-(hexan-3-ylamino)phenyl]pyrrolidin-2-one
CID 103930966
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]formamide
CID 64990546
1-[4-[(prop-2-ynylamino)methyl]phenyl]pyrrolidin-2-one
CID 60697157
1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
N-butan-2-yl-2-[[4-(2-oxopiperidin-1-yl)phenyl]methylcarbamoylamino]propanamide
CID 51127537
(2R)-N-[(2R)-butan-2-yl]-2-[[4-(2-oxopiperidin-1-yl)phenyl]methylcarbamoylamino]propanamide
CID 52527330

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(pentan-2-ylamino)methyl]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-[(pentan-2-ylamino)methyl]phenyl]pyrrolidin-2-one (CID 43203969) is 1-[4-[(pentan-2-ylamino)methyl]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-[(pentan-2-ylamino)methyl]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-[(pentan-2-ylamino)methyl]phenyl]pyrrolidin-2-one is CCCC(C)NCc1ccc(N2CCCC2=O)cc1.
What is the InChIKey of 1-[4-[(pentan-2-ylamino)methyl]phenyl]pyrrolidin-2-one?
The InChIKey is GZNWXBUNDGCXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-3-5-13(2)17-12-14-7-9-15(10-8-14)18-11-4-6-16(18)19/h7-10,13,17H,3-6,11-12H2,1-2H3.
What are the key properties of 1-[4-[(pentan-2-ylamino)methyl]phenyl]pyrrolidin-2-one?
1-[4-[(pentan-2-ylamino)methyl]phenyl]pyrrolidin-2-one has a molecular weight of 260.38 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(pentan-2-ylamino)methyl]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 43203969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).