1-[2-[2-(ethylaminomethyl)pyrrolidin-1-yl]ethyl]pyridin-2-one

C14H23N3O — CID 82896777

IUPAC1-[2-[2-(ethylaminomethyl)pyrrolidin-1-yl]ethyl]pyridin-2-one
SMILESCCNCC1CCCN1CCn1ccccc1=O
InChIInChI=1S/C14H23N3O/c1-2-15-12-13-6-5-9-16(13)10-11-17-8-4-3-7-14(17)18/h3-4,7-8,13,15H,2,5-6,9-12H2,1H3
InChIKeyNKCPBSYQDFLYEP-UHFFFAOYSA-N
MW249.36 g/mol
LogP0.92
Rot. Bonds6

About 1-[2-[2-(ethylaminomethyl)pyrrolidin-1-yl]ethyl]pyridin-2-one

1-[2-[2-(ethylaminomethyl)pyrrolidin-1-yl]ethyl]pyridin-2-one (PubChem CID 82896777) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 1-[2-[2-(ethylaminomethyl)pyrrolidin-1-yl]ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-[2-(ethylaminomethyl)pyrrolidin-1-yl]ethyl]pyridin-2-one
PubChem CID82896777
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name1-[2-[2-(ethylaminomethyl)pyrrolidin-1-yl]ethyl]pyridin-2-one
SMILESCCNCC1CCCN1CCn1ccccc1=O
InChIInChI=1S/C14H23N3O/c1-2-15-12-13-6-5-9-16(13)10-11-17-8-4-3-7-14(17)18/h3-4,7-8,13,15H,2,5-6,9-12H2,1H3
InChIKeyNKCPBSYQDFLYEP-UHFFFAOYSA-N
XLogP0.92
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(2-pyrazol-1-ylethyl)piperidin-2-yl]methyl]ethanamine
CID 55220183
N-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]ethanamine
CID 94499350
1-[2-[3-(propylaminomethyl)piperidin-1-yl]ethyl]pyridin-2-one
CID 82896565
N-[[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-2-yl]methyl]ethanamine
CID 55092410
1-ethyl-3-[(1-ethylpyrrolidin-2-yl)methyl]-2-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]guanidine
CID 111262021
1-[2-[3-[(2-methoxyethylamino)methyl]piperidin-1-yl]ethyl]pyridin-2-one
CID 82898983
1-[3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-oxopropyl]pyridin-2-one
CID 66261805
1-[2-[3-(1-aminoethyl)piperidin-1-yl]ethyl]pyridin-2-one
CID 82898009
N-[[1-(3-methylsulfonylpropyl)pyrrolidin-2-yl]methyl]ethanamine
CID 63191177
1-[2-[4-[1-(ethylamino)ethyl]piperidin-1-yl]ethyl]pyridin-2-one
CID 82897001
1-[2-[3-[1-(methylamino)ethyl]piperidin-1-yl]ethyl]pyridin-2-one
CID 82896584
N-[[1-(3-methoxypropyl)pyrrolidin-2-yl]methyl]ethanamine
CID 62582162

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(ethylaminomethyl)pyrrolidin-1-yl]ethyl]pyridin-2-one?
The IUPAC name of 1-[2-[2-(ethylaminomethyl)pyrrolidin-1-yl]ethyl]pyridin-2-one (CID 82896777) is 1-[2-[2-(ethylaminomethyl)pyrrolidin-1-yl]ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-[2-(ethylaminomethyl)pyrrolidin-1-yl]ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-[2-(ethylaminomethyl)pyrrolidin-1-yl]ethyl]pyridin-2-one is CCNCC1CCCN1CCn1ccccc1=O.
What is the InChIKey of 1-[2-[2-(ethylaminomethyl)pyrrolidin-1-yl]ethyl]pyridin-2-one?
The InChIKey is NKCPBSYQDFLYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-2-15-12-13-6-5-9-16(13)10-11-17-8-4-3-7-14(17)18/h3-4,7-8,13,15H,2,5-6,9-12H2,1H3.
What are the key properties of 1-[2-[2-(ethylaminomethyl)pyrrolidin-1-yl]ethyl]pyridin-2-one?
1-[2-[2-(ethylaminomethyl)pyrrolidin-1-yl]ethyl]pyridin-2-one has a molecular weight of 249.36 g/mol, XLogP of 0.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(ethylaminomethyl)pyrrolidin-1-yl]ethyl]pyridin-2-one is sourced from PubChem (CID 82896777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).