1-[4-[[(1-methylpyrrol-2-yl)methylamino]methyl]phenyl]pyrrolidin-2-one

C17H21N3O — CID 28878132

IUPAC1-[4-[[(1-methylpyrrol-2-yl)methylamino]methyl]phenyl]pyrrolidin-2-one
SMILESCn1cccc1CNCc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C17H21N3O/c1-19-10-2-4-16(19)13-18-12-14-6-8-15(9-7-14)20-11-3-5-17(20)21/h2,4,6-10,18H,3,5,11-13H2,1H3
InChIKeyGJBCPUWCZJAMBG-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.44
Rot. Bonds5

About 1-[4-[[(1-methylpyrrol-2-yl)methylamino]methyl]phenyl]pyrrolidin-2-one

1-[4-[[(1-methylpyrrol-2-yl)methylamino]methyl]phenyl]pyrrolidin-2-one (PubChem CID 28878132) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 1-[4-[[(1-methylpyrrol-2-yl)methylamino]methyl]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-[[(1-methylpyrrol-2-yl)methylamino]methyl]phenyl]pyrrolidin-2-one
PubChem CID28878132
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name1-[4-[[(1-methylpyrrol-2-yl)methylamino]methyl]phenyl]pyrrolidin-2-one
SMILESCn1cccc1CNCc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C17H21N3O/c1-19-10-2-4-16(19)13-18-12-14-6-8-15(9-7-14)20-11-3-5-17(20)21/h2,4,6-10,18H,3,5,11-13H2,1H3
InChIKeyGJBCPUWCZJAMBG-UHFFFAOYSA-N
XLogP2.44
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(propylaminomethyl)phenyl]pyrrolidin-2-one
CID 28658925
1-[4-[(prop-2-ynylamino)methyl]phenyl]pyrrolidin-2-one
CID 60697157
1-[4-[[(2-bromophenyl)methylamino]methyl]phenyl]pyrrolidin-2-one
CID 26690069
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]formamide
CID 64990546
1-[4-[(1,3-thiazol-5-ylmethylamino)methyl]phenyl]pyrrolidin-2-one
CID 62760532
1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide
CID 24551216
1-[4-[(1,1-difluoropropan-2-ylamino)methyl]phenyl]pyrrolidin-2-one
CID 102867991
1-[4-[[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]methyl]phenyl]pyrrolidin-2-one
CID 30585345
1-ethyl-2-methyl-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]guanidine
CID 111413084
4-[[[3-(2-oxopyrrolidin-1-yl)phenyl]methylamino]methyl]benzoic acid
CID 122030295
4-(2-oxopyrrolidin-1-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8589075

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[(1-methylpyrrol-2-yl)methylamino]methyl]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-[[(1-methylpyrrol-2-yl)methylamino]methyl]phenyl]pyrrolidin-2-one (CID 28878132) is 1-[4-[[(1-methylpyrrol-2-yl)methylamino]methyl]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-[[(1-methylpyrrol-2-yl)methylamino]methyl]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-[[(1-methylpyrrol-2-yl)methylamino]methyl]phenyl]pyrrolidin-2-one is Cn1cccc1CNCc1ccc(N2CCCC2=O)cc1.
What is the InChIKey of 1-[4-[[(1-methylpyrrol-2-yl)methylamino]methyl]phenyl]pyrrolidin-2-one?
The InChIKey is GJBCPUWCZJAMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-19-10-2-4-16(19)13-18-12-14-6-8-15(9-7-14)20-11-3-5-17(20)21/h2,4,6-10,18H,3,5,11-13H2,1H3.
What are the key properties of 1-[4-[[(1-methylpyrrol-2-yl)methylamino]methyl]phenyl]pyrrolidin-2-one?
1-[4-[[(1-methylpyrrol-2-yl)methylamino]methyl]phenyl]pyrrolidin-2-one has a molecular weight of 283.38 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[(1-methylpyrrol-2-yl)methylamino]methyl]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 28878132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).