1-[3-(ethylaminomethyl)phenyl]pyrrolidin-2-one

C13H18N2O — CID 63272633

IUPAC1-[3-(ethylaminomethyl)phenyl]pyrrolidin-2-one
SMILESCCNCc1cccc(N2CCCC2=O)c1
InChIInChI=1S/C13H18N2O/c1-2-14-10-11-5-3-6-12(9-11)15-8-4-7-13(15)16/h3,5-6,9,14H,2,4,7-8,10H2,1H3
InChIKeyXBOQYPNVSUTYDG-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.92
Rot. Bonds4

About 1-[3-(ethylaminomethyl)phenyl]pyrrolidin-2-one

1-[3-(ethylaminomethyl)phenyl]pyrrolidin-2-one (PubChem CID 63272633) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-[3-(ethylaminomethyl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-(ethylaminomethyl)phenyl]pyrrolidin-2-one
PubChem CID63272633
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name1-[3-(ethylaminomethyl)phenyl]pyrrolidin-2-one
SMILESCCNCc1cccc(N2CCCC2=O)c1
InChIInChI=1S/C13H18N2O/c1-2-14-10-11-5-3-6-12(9-11)15-8-4-7-13(15)16/h3,5-6,9,14H,2,4,7-8,10H2,1H3
InChIKeyXBOQYPNVSUTYDG-UHFFFAOYSA-N
XLogP1.92
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[[3-(2-oxopyrrolidin-1-yl)phenyl]methylamino]methyl]benzoic acid
CID 122030295
1-[3-[(chloroamino)methyl]phenyl]pyrrolidin-2-one
CID 88577305
1-[3-(methylaminomethyl)phenyl]piperidin-2-one
CID 63272190
3-[3-(ethylaminomethyl)phenyl]-1,3-oxazinan-2-one
CID 61349238
3,3-dimethyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide
CID 39004153
1-[3-(ethylaminomethyl)phenyl]pyrrolidine-2,5-dione
CID 61351324
1-[3-[(propan-2-ylamino)methyl]phenyl]piperidin-2-one
CID 113352085
ethane;1-(3-ethylphenyl)piperidin-2-one
CID 171523765
4-(2-oxopyrrolidin-1-yl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 39003599
1-[3-(methoxymethyl)phenyl]pyrrolidin-2-one
CID 58826741
1-[3-[[(5-chloro-3-fluoro-2-hydroxyphenyl)methylamino]methyl]phenyl]pyrrolidin-2-one
CID 139017347
1-[3-(aminomethyl)phenyl]pyrrolidin-2-one;hydrochloride
CID 68967881

Frequently Asked Questions

What is the IUPAC name of 1-[3-(ethylaminomethyl)phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-(ethylaminomethyl)phenyl]pyrrolidin-2-one (CID 63272633) is 1-[3-(ethylaminomethyl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-(ethylaminomethyl)phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-(ethylaminomethyl)phenyl]pyrrolidin-2-one is CCNCc1cccc(N2CCCC2=O)c1.
What is the InChIKey of 1-[3-(ethylaminomethyl)phenyl]pyrrolidin-2-one?
The InChIKey is XBOQYPNVSUTYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-2-14-10-11-5-3-6-12(9-11)15-8-4-7-13(15)16/h3,5-6,9,14H,2,4,7-8,10H2,1H3.
What are the key properties of 1-[3-(ethylaminomethyl)phenyl]pyrrolidin-2-one?
1-[3-(ethylaminomethyl)phenyl]pyrrolidin-2-one has a molecular weight of 218.30 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(ethylaminomethyl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 63272633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).