1-[4-[(1-ethylpyrrol-3-yl)methylamino]phenyl]pyrrolidin-2-one

C17H21N3O — CID 66398416

IUPAC1-[4-[(1-ethylpyrrol-3-yl)methylamino]phenyl]pyrrolidin-2-one
SMILESCCn1ccc(CNc2ccc(N3CCCC3=O)cc2)c1
InChIInChI=1S/C17H21N3O/c1-2-19-11-9-14(13-19)12-18-15-5-7-16(8-6-15)20-10-3-4-17(20)21/h5-9,11,13,18H,2-4,10,12H2,1H3
InChIKeyQCKQURCPRRTEJW-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.25
Rot. Bonds5

About 1-[4-[(1-ethylpyrrol-3-yl)methylamino]phenyl]pyrrolidin-2-one

1-[4-[(1-ethylpyrrol-3-yl)methylamino]phenyl]pyrrolidin-2-one (PubChem CID 66398416) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 1-[4-[(1-ethylpyrrol-3-yl)methylamino]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-[(1-ethylpyrrol-3-yl)methylamino]phenyl]pyrrolidin-2-one
PubChem CID66398416
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name1-[4-[(1-ethylpyrrol-3-yl)methylamino]phenyl]pyrrolidin-2-one
SMILESCCn1ccc(CNc2ccc(N3CCCC3=O)cc2)c1
InChIInChI=1S/C17H21N3O/c1-2-19-11-9-14(13-19)12-18-15-5-7-16(8-6-15)20-10-3-4-17(20)21/h5-9,11,13,18H,2-4,10,12H2,1H3
InChIKeyQCKQURCPRRTEJW-UHFFFAOYSA-N
XLogP3.25
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 ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(pyrimidin-5-ylmethylamino)phenyl]pyrrolidin-2-one
CID 62758405
1-[4-[(3-methylphenyl)methylamino]phenyl]pyrrolidin-2-one
CID 43232057
1-[4-(thiophen-3-ylmethylamino)phenyl]pyrrolidin-2-one
CID 43679622
N-[4-[[4-(2-oxopyrrolidin-1-yl)anilino]methyl]phenyl]propane-2-sulfonamide
CID 70939268
1-[4-(2-methylpropylamino)phenyl]pyrrolidin-2-one
CID 43679619
1-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]phenyl]pyrrolidin-2-one
CID 43679653
1-[4-(methylamino)phenyl]pyrrolidin-2-one
CID 54310012
1-[4-(thiophen-2-ylmethylamino)phenyl]pyrrolidin-2-one
CID 43229073
1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
1-[4-(3-methylsulfanylpropylamino)phenyl]pyrrolidin-2-one
CID 43679602
1-[4-(propylaminomethyl)phenyl]pyrrolidin-2-one
CID 28658925
1-ethyl-3-[4-(2-oxopyrrolidin-1-yl)phenyl]thiourea
CID 8716477

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1-ethylpyrrol-3-yl)methylamino]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-[(1-ethylpyrrol-3-yl)methylamino]phenyl]pyrrolidin-2-one (CID 66398416) is 1-[4-[(1-ethylpyrrol-3-yl)methylamino]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-[(1-ethylpyrrol-3-yl)methylamino]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-[(1-ethylpyrrol-3-yl)methylamino]phenyl]pyrrolidin-2-one is CCn1ccc(CNc2ccc(N3CCCC3=O)cc2)c1.
What is the InChIKey of 1-[4-[(1-ethylpyrrol-3-yl)methylamino]phenyl]pyrrolidin-2-one?
The InChIKey is QCKQURCPRRTEJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-2-19-11-9-14(13-19)12-18-15-5-7-16(8-6-15)20-10-3-4-17(20)21/h5-9,11,13,18H,2-4,10,12H2,1H3.
What are the key properties of 1-[4-[(1-ethylpyrrol-3-yl)methylamino]phenyl]pyrrolidin-2-one?
1-[4-[(1-ethylpyrrol-3-yl)methylamino]phenyl]pyrrolidin-2-one has a molecular weight of 283.38 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1-ethylpyrrol-3-yl)methylamino]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 66398416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).