3-[(1S)-1,2-diaminoethyl]-1H-pyridin-2-one

C7H11N3O — CID 55275457

IUPAC3-[(1S)-1,2-diaminoethyl]-1H-pyridin-2-one
SMILESNC[C@@H](N)c1ccc[nH]c1=O
InChIInChI=1S/C7H11N3O/c8-4-6(9)5-2-1-3-10-7(5)11/h1-3,6H,4,8-9H2,(H,10,11)/t6-/m1/s1
InChIKeyCUAPNNINABPKKO-ZCFIWIBFSA-N
MW153.19 g/mol
LogP-0.67
Rot. Bonds2

About 3-[(1S)-1,2-diaminoethyl]-1H-pyridin-2-one

3-[(1S)-1,2-diaminoethyl]-1H-pyridin-2-one (PubChem CID 55275457) has the molecular formula C7H11N3O and a molecular weight of 153.19 g/mol. Its IUPAC name is 3-[(1S)-1,2-diaminoethyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[(1S)-1,2-diaminoethyl]-1H-pyridin-2-one
PubChem CID55275457
Molecular FormulaC7H11N3O
Molecular Weight153.19 g/mol
Exact Mass153.09
IUPAC Name3-[(1S)-1,2-diaminoethyl]-1H-pyridin-2-one
SMILESNC[C@@H](N)c1ccc[nH]c1=O
InChIInChI=1S/C7H11N3O/c8-4-6(9)5-2-1-3-10-7(5)11/h1-3,6H,4,8-9H2,(H,10,11)/t6-/m1/s1
InChIKeyCUAPNNINABPKKO-ZCFIWIBFSA-N
XLogP-0.67
TPSA84.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.19
LogP ≤ 5-0.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1R)-1-amino-2-methoxyethyl]-1H-pyridin-2-one
CID 55294092
3-[(1R)-1-amino-2-cyclopropylethyl]-1H-pyridin-2-one
CID 130719502
3-[(1R)-1-aminoethyl]-1H-pyridin-2-one
CID 55263461
3-(1-aminoethyl)-1H-pyridin-2-one
CID 12982899
3-(dihydroxymethyl)-1H-pyridin-2-one
CID 89458660
1-(1H-pyrrol-2-yl)ethane-1,2-diamine
CID 55293480
3-(1,2-diaminoethyl)-1H-pyrrole-2-carbaldehyde;manganese;1H-pyrrole-2-carbaldehyde
CID 87429709
methane;3-propan-2-yl-1H-pyridin-2-one
CID 159076813
(1R)-1-(1H-pyrrol-2-yl)ethane-1,2-diamine;hydrochloride
CID 171201680
3-[(1S)-2-hydroxy-1-(methylamino)ethyl]-1H-pyridin-2-one
CID 131031761
3-hexan-2-yl-1H-pyridin-2-one
CID 146209312
2-(2-oxo-1H-pyridin-3-yl)propanenitrile
CID 171567137

Frequently Asked Questions

What is the IUPAC name of 3-[(1S)-1,2-diaminoethyl]-1H-pyridin-2-one?
The IUPAC name of 3-[(1S)-1,2-diaminoethyl]-1H-pyridin-2-one (CID 55275457) is 3-[(1S)-1,2-diaminoethyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-[(1S)-1,2-diaminoethyl]-1H-pyridin-2-one?
The canonical SMILES for 3-[(1S)-1,2-diaminoethyl]-1H-pyridin-2-one is NC[C@@H](N)c1ccc[nH]c1=O.
What is the InChIKey of 3-[(1S)-1,2-diaminoethyl]-1H-pyridin-2-one?
The InChIKey is CUAPNNINABPKKO-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H11N3O/c8-4-6(9)5-2-1-3-10-7(5)11/h1-3,6H,4,8-9H2,(H,10,11)/t6-/m1/s1.
What are the key properties of 3-[(1S)-1,2-diaminoethyl]-1H-pyridin-2-one?
3-[(1S)-1,2-diaminoethyl]-1H-pyridin-2-one has a molecular weight of 153.19 g/mol, XLogP of -0.67, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S)-1,2-diaminoethyl]-1H-pyridin-2-one is sourced from PubChem (CID 55275457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).