3-[(1R)-1-amino-2-cyclopropylethyl]-1H-pyridin-2-one

C10H14N2O — CID 130719502

IUPAC3-[(1R)-1-amino-2-cyclopropylethyl]-1H-pyridin-2-one
SMILESN[C@H](CC1CC1)c1ccc[nH]c1=O
InChIInChI=1S/C10H14N2O/c11-9(6-7-3-4-7)8-2-1-5-12-10(8)13/h1-2,5,7,9H,3-4,6,11H2,(H,12,13)/t9-/m1/s1
InChIKeyVKVPECXEOVNJPP-SECBINFHSA-N
MW178.24 g/mol
LogP1.17
Rot. Bonds3

About 3-[(1R)-1-amino-2-cyclopropylethyl]-1H-pyridin-2-one

3-[(1R)-1-amino-2-cyclopropylethyl]-1H-pyridin-2-one (PubChem CID 130719502) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is 3-[(1R)-1-amino-2-cyclopropylethyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[(1R)-1-amino-2-cyclopropylethyl]-1H-pyridin-2-one
PubChem CID130719502
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name3-[(1R)-1-amino-2-cyclopropylethyl]-1H-pyridin-2-one
SMILESN[C@H](CC1CC1)c1ccc[nH]c1=O
InChIInChI=1S/C10H14N2O/c11-9(6-7-3-4-7)8-2-1-5-12-10(8)13/h1-2,5,7,9H,3-4,6,11H2,(H,12,13)/t9-/m1/s1
InChIKeyVKVPECXEOVNJPP-SECBINFHSA-N
XLogP1.17
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(1S)-1,2-diaminoethyl]-1H-pyridin-2-one
CID 55275457
3-[(1R)-1-amino-2-methoxyethyl]-1H-pyridin-2-one
CID 55294092
(1S)-2-cyclopropyl-1-(1H-indol-4-yl)ethanamine
CID 171225082
3-[(1R)-1-aminoethyl]-1H-pyridin-2-one
CID 55263461
3-(1-aminoethyl)-1H-pyridin-2-one
CID 12982899
1-(2-bromophenyl)-2-cyclopropylethanamine
CID 64906387
2-[(1S)-1-amino-2-cyclopropylethyl]phenol;hydrochloride
CID 171220494
1-(1H-pyrrol-2-yl)-2-(thian-4-yl)ethanamine
CID 130528115
(1S)-2-cyclopropyl-1-(2,3-difluorophenyl)ethanamine
CID 131113466
(1R)-2-cyclopropyl-1-(2,3-dichlorophenyl)ethanamine
CID 130971374
2-[(1S)-1-amino-2-cyclopropylethyl]-6-ethylphenol
CID 171253881
3-(dihydroxymethyl)-1H-pyridin-2-one
CID 89458660

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-amino-2-cyclopropylethyl]-1H-pyridin-2-one?
The IUPAC name of 3-[(1R)-1-amino-2-cyclopropylethyl]-1H-pyridin-2-one (CID 130719502) is 3-[(1R)-1-amino-2-cyclopropylethyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-[(1R)-1-amino-2-cyclopropylethyl]-1H-pyridin-2-one?
The canonical SMILES for 3-[(1R)-1-amino-2-cyclopropylethyl]-1H-pyridin-2-one is N[C@H](CC1CC1)c1ccc[nH]c1=O.
What is the InChIKey of 3-[(1R)-1-amino-2-cyclopropylethyl]-1H-pyridin-2-one?
The InChIKey is VKVPECXEOVNJPP-SECBINFHSA-N. The full InChI is InChI=1S/C10H14N2O/c11-9(6-7-3-4-7)8-2-1-5-12-10(8)13/h1-2,5,7,9H,3-4,6,11H2,(H,12,13)/t9-/m1/s1.
What are the key properties of 3-[(1R)-1-amino-2-cyclopropylethyl]-1H-pyridin-2-one?
3-[(1R)-1-amino-2-cyclopropylethyl]-1H-pyridin-2-one has a molecular weight of 178.24 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-amino-2-cyclopropylethyl]-1H-pyridin-2-one is sourced from PubChem (CID 130719502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).