1-[2-[3-(aminomethyl)pyrrol-1-yl]ethyl]pyridin-2-one

C12H15N3O — CID 82907033

IUPAC1-[2-[3-(aminomethyl)pyrrol-1-yl]ethyl]pyridin-2-one
SMILESNCc1ccn(CCn2ccccc2=O)c1
InChIInChI=1S/C12H15N3O/c13-9-11-4-6-14(10-11)7-8-15-5-2-1-3-12(15)16/h1-6,10H,7-9,13H2
InChIKeyOVTNRSFKVNZBBO-UHFFFAOYSA-N
MW217.27 g/mol
LogP0.81
Rot. Bonds4

About 1-[2-[3-(aminomethyl)pyrrol-1-yl]ethyl]pyridin-2-one

1-[2-[3-(aminomethyl)pyrrol-1-yl]ethyl]pyridin-2-one (PubChem CID 82907033) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 1-[2-[3-(aminomethyl)pyrrol-1-yl]ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-[3-(aminomethyl)pyrrol-1-yl]ethyl]pyridin-2-one
PubChem CID82907033
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name1-[2-[3-(aminomethyl)pyrrol-1-yl]ethyl]pyridin-2-one
SMILESNCc1ccn(CCn2ccccc2=O)c1
InChIInChI=1S/C12H15N3O/c13-9-11-4-6-14(10-11)7-8-15-5-2-1-3-12(15)16/h1-6,10H,7-9,13H2
InChIKeyOVTNRSFKVNZBBO-UHFFFAOYSA-N
XLogP0.81
TPSA52.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(2-phenylsulfanylethyl)pyrrol-3-yl]methanamine
CID 79227630
1-[2-[3-(1-hydroxy-2-methylpropyl)pyrrol-1-yl]ethyl]pyridin-2-one
CID 82907186
1-[2-[[4-(aminomethyl)phenyl]methyl-methylamino]ethyl]pyridin-2-one
CID 82896599
[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrol-3-yl]methanamine
CID 82891821
1-[2-[3-(aminomethyl)phenyl]sulfanylethyl]pyridin-2-one
CID 82906977
1-[2-[4-(3-aminopropyl)piperazin-1-yl]ethyl]pyridin-2-one
CID 82897279
1-[2-[3-[1-(propylamino)propyl]pyrrol-1-yl]ethyl]pyridin-2-one
CID 82899275
1-(2-chloroethyl)pyridin-2-one;hydrochloride
CID 12704874
1-[2-[3-[cyclopropyl(ethylamino)methyl]pyrrol-1-yl]ethyl]pyridin-2-one
CID 82899373
1-[2-(benzylamino)ethyl]pyridin-2-one
CID 55070999
3-(2-oxo-1-pyridinyl)propanehydrazide
CID 43346089
1-[[5-(aminomethyl)furan-2-yl]methyl]pyridin-2-one
CID 82506623

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(aminomethyl)pyrrol-1-yl]ethyl]pyridin-2-one?
The IUPAC name of 1-[2-[3-(aminomethyl)pyrrol-1-yl]ethyl]pyridin-2-one (CID 82907033) is 1-[2-[3-(aminomethyl)pyrrol-1-yl]ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-[3-(aminomethyl)pyrrol-1-yl]ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-[3-(aminomethyl)pyrrol-1-yl]ethyl]pyridin-2-one is NCc1ccn(CCn2ccccc2=O)c1.
What is the InChIKey of 1-[2-[3-(aminomethyl)pyrrol-1-yl]ethyl]pyridin-2-one?
The InChIKey is OVTNRSFKVNZBBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c13-9-11-4-6-14(10-11)7-8-15-5-2-1-3-12(15)16/h1-6,10H,7-9,13H2.
What are the key properties of 1-[2-[3-(aminomethyl)pyrrol-1-yl]ethyl]pyridin-2-one?
1-[2-[3-(aminomethyl)pyrrol-1-yl]ethyl]pyridin-2-one has a molecular weight of 217.27 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(aminomethyl)pyrrol-1-yl]ethyl]pyridin-2-one is sourced from PubChem (CID 82907033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).