5-[(1R)-1-amino-2-cyclopropylethyl]-3-methyl-1H-pyridin-2-one

C11H16N2O — CID 130614731

IUPAC5-[(1R)-1-amino-2-cyclopropylethyl]-3-methyl-1H-pyridin-2-one
SMILESCc1cc([C@H](N)CC2CC2)c[nH]c1=O
InChIInChI=1S/C11H16N2O/c1-7-4-9(6-13-11(7)14)10(12)5-8-2-3-8/h4,6,8,10H,2-3,5,12H2,1H3,(H,13,14)/t10-/m1/s1
InChIKeyQHUKEXDCAUSACD-SNVBAGLBSA-N
MW192.26 g/mol
LogP1.48
Rot. Bonds3

About 5-[(1R)-1-amino-2-cyclopropylethyl]-3-methyl-1H-pyridin-2-one

5-[(1R)-1-amino-2-cyclopropylethyl]-3-methyl-1H-pyridin-2-one (PubChem CID 130614731) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 5-[(1R)-1-amino-2-cyclopropylethyl]-3-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[(1R)-1-amino-2-cyclopropylethyl]-3-methyl-1H-pyridin-2-one
PubChem CID130614731
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name5-[(1R)-1-amino-2-cyclopropylethyl]-3-methyl-1H-pyridin-2-one
SMILESCc1cc([C@H](N)CC2CC2)c[nH]c1=O
InChIInChI=1S/C11H16N2O/c1-7-4-9(6-13-11(7)14)10(12)5-8-2-3-8/h4,6,8,10H,2-3,5,12H2,1H3,(H,13,14)/t10-/m1/s1
InChIKeyQHUKEXDCAUSACD-SNVBAGLBSA-N
XLogP1.48
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-1-amino-2-cyclopropylethyl]-3-methyl-1H-pyridin-2-one?
The IUPAC name of 5-[(1R)-1-amino-2-cyclopropylethyl]-3-methyl-1H-pyridin-2-one (CID 130614731) is 5-[(1R)-1-amino-2-cyclopropylethyl]-3-methyl-1H-pyridin-2-one.
What is the SMILES notation for 5-[(1R)-1-amino-2-cyclopropylethyl]-3-methyl-1H-pyridin-2-one?
The canonical SMILES for 5-[(1R)-1-amino-2-cyclopropylethyl]-3-methyl-1H-pyridin-2-one is Cc1cc([C@H](N)CC2CC2)c[nH]c1=O.
What is the InChIKey of 5-[(1R)-1-amino-2-cyclopropylethyl]-3-methyl-1H-pyridin-2-one?
The InChIKey is QHUKEXDCAUSACD-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H16N2O/c1-7-4-9(6-13-11(7)14)10(12)5-8-2-3-8/h4,6,8,10H,2-3,5,12H2,1H3,(H,13,14)/t10-/m1/s1.
What are the key properties of 5-[(1R)-1-amino-2-cyclopropylethyl]-3-methyl-1H-pyridin-2-one?
5-[(1R)-1-amino-2-cyclopropylethyl]-3-methyl-1H-pyridin-2-one has a molecular weight of 192.26 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-1-amino-2-cyclopropylethyl]-3-methyl-1H-pyridin-2-one is sourced from PubChem (CID 130614731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).