4-amino-1-[(2-ethylphenyl)methyl]pyrrolidin-2-one

C13H18N2O — CID 64693717

IUPAC4-amino-1-[(2-ethylphenyl)methyl]pyrrolidin-2-one
SMILESCCc1ccccc1CN1CC(N)CC1=O
InChIInChI=1S/C13H18N2O/c1-2-10-5-3-4-6-11(10)8-15-9-12(14)7-13(15)16/h3-6,12H,2,7-9,14H2,1H3
InChIKeyCWQWYFWTXAWQNV-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.31
Rot. Bonds3

About 4-amino-1-[(2-ethylphenyl)methyl]pyrrolidin-2-one

4-amino-1-[(2-ethylphenyl)methyl]pyrrolidin-2-one (PubChem CID 64693717) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 4-amino-1-[(2-ethylphenyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-amino-1-[(2-ethylphenyl)methyl]pyrrolidin-2-one
PubChem CID64693717
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name4-amino-1-[(2-ethylphenyl)methyl]pyrrolidin-2-one
SMILESCCc1ccccc1CN1CC(N)CC1=O
InChIInChI=1S/C13H18N2O/c1-2-10-5-3-4-6-11(10)8-15-9-12(14)7-13(15)16/h3-6,12H,2,7-9,14H2,1H3
InChIKeyCWQWYFWTXAWQNV-UHFFFAOYSA-N
XLogP1.31
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(aminomethyl)-1-[(2-ethylphenyl)methyl]pyrrolidin-2-one
CID 64695007
4-amino-1-[(2-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-one
CID 168700270
4-amino-1-[(5-ethyl-2-methoxyphenyl)methyl]pyrrolidin-2-one
CID 82159584
4-amino-1-[(5-fluoro-2-methoxyphenyl)methyl]pyrrolidin-2-one
CID 82159314
(4R)-4-amino-1-[(3-hydroxyphenyl)methyl]pyrrolidin-2-one
CID 59905935
2-[(4-ethyl-2-oxopyrrolidin-1-yl)methyl]benzoic acid
CID 10106013
4-amino-1-(1,3-benzothiazol-2-ylmethyl)pyrrolidin-2-one
CID 168700336
2-[(2-oxo-4-propylpyrrolidin-1-yl)methyl]benzenecarbothioamide
CID 104511863
4-amino-1-[2-(2-methoxyphenoxy)ethyl]pyrrolidin-2-one
CID 168699576
4-amino-1-[(2S)-2-hydroxy-2-phenylethyl]pyrrolidin-2-one
CID 168698967
4-amino-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-one
CID 168700328
4-chloro-1-[(2-ethoxyphenyl)methyl]pyrrolidin-2-one
CID 168687525

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(2-ethylphenyl)methyl]pyrrolidin-2-one?
The IUPAC name of 4-amino-1-[(2-ethylphenyl)methyl]pyrrolidin-2-one (CID 64693717) is 4-amino-1-[(2-ethylphenyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 4-amino-1-[(2-ethylphenyl)methyl]pyrrolidin-2-one?
The canonical SMILES for 4-amino-1-[(2-ethylphenyl)methyl]pyrrolidin-2-one is CCc1ccccc1CN1CC(N)CC1=O.
What is the InChIKey of 4-amino-1-[(2-ethylphenyl)methyl]pyrrolidin-2-one?
The InChIKey is CWQWYFWTXAWQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-2-10-5-3-4-6-11(10)8-15-9-12(14)7-13(15)16/h3-6,12H,2,7-9,14H2,1H3.
What are the key properties of 4-amino-1-[(2-ethylphenyl)methyl]pyrrolidin-2-one?
4-amino-1-[(2-ethylphenyl)methyl]pyrrolidin-2-one has a molecular weight of 218.30 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(2-ethylphenyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 64693717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).