3-[(1R)-1-aminoethyl]-6-propan-2-yl-1H-pyridin-2-one

C10H16N2O — CID 96689933

IUPAC3-[(1R)-1-aminoethyl]-6-propan-2-yl-1H-pyridin-2-one
SMILESCC(C)c1ccc([C@@H](C)N)c(=O)[nH]1
InChIInChI=1S/C10H16N2O/c1-6(2)9-5-4-8(7(3)11)10(13)12-9/h4-7H,11H2,1-3H3,(H,12,13)/t7-/m1/s1
InChIKeyMDNDKAXPCCQCNM-SSDOTTSWSA-N
MW180.25 g/mol
LogP1.52
Rot. Bonds2

About 3-[(1R)-1-aminoethyl]-6-propan-2-yl-1H-pyridin-2-one

3-[(1R)-1-aminoethyl]-6-propan-2-yl-1H-pyridin-2-one (PubChem CID 96689933) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 3-[(1R)-1-aminoethyl]-6-propan-2-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[(1R)-1-aminoethyl]-6-propan-2-yl-1H-pyridin-2-one
PubChem CID96689933
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name3-[(1R)-1-aminoethyl]-6-propan-2-yl-1H-pyridin-2-one
SMILESCC(C)c1ccc([C@@H](C)N)c(=O)[nH]1
InChIInChI=1S/C10H16N2O/c1-6(2)9-5-4-8(7(3)11)10(13)12-9/h4-7H,11H2,1-3H3,(H,12,13)/t7-/m1/s1
InChIKeyMDNDKAXPCCQCNM-SSDOTTSWSA-N
XLogP1.52
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(1R)-1-aminoethyl]-6-pyridin-4-yl-1H-pyridin-2-one
CID 129448563
3-[(1R)-1-aminoethyl]-1H-pyridin-2-one
CID 55263461
3-(1-aminoethyl)-1H-pyridin-2-one
CID 12982899
2-(2-oxo-6-propan-2-yl-1H-pyridin-3-yl)acetonitrile
CID 82524660
N-methyl-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide
CID 171444803
5-(1-aminoethyl)-2-sulfanylidene-1H-pyrimidin-4-one
CID 87997783
2-methyl-5-propan-2-yl-1H-pyrrole
CID 44718276
5-[(1S)-1-aminoethyl]-6-methyl-1H-pyridine-2-thione
CID 124502609
3-(1-aminoethyl)-7-fluoro-1H-quinolin-2-one
CID 84620651
2-chloro-5-propan-2-yl-1H-pyrrole
CID 59172202
3-[(S)-amino(cyclopropyl)methyl]-6-methyl-1H-pyridin-2-one
CID 130611322
5-(1-aminoethyl)-1H-pyrrol-2-amine
CID 130000462

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-aminoethyl]-6-propan-2-yl-1H-pyridin-2-one?
The IUPAC name of 3-[(1R)-1-aminoethyl]-6-propan-2-yl-1H-pyridin-2-one (CID 96689933) is 3-[(1R)-1-aminoethyl]-6-propan-2-yl-1H-pyridin-2-one.
What is the SMILES notation for 3-[(1R)-1-aminoethyl]-6-propan-2-yl-1H-pyridin-2-one?
The canonical SMILES for 3-[(1R)-1-aminoethyl]-6-propan-2-yl-1H-pyridin-2-one is CC(C)c1ccc([C@@H](C)N)c(=O)[nH]1.
What is the InChIKey of 3-[(1R)-1-aminoethyl]-6-propan-2-yl-1H-pyridin-2-one?
The InChIKey is MDNDKAXPCCQCNM-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H16N2O/c1-6(2)9-5-4-8(7(3)11)10(13)12-9/h4-7H,11H2,1-3H3,(H,12,13)/t7-/m1/s1.
What are the key properties of 3-[(1R)-1-aminoethyl]-6-propan-2-yl-1H-pyridin-2-one?
3-[(1R)-1-aminoethyl]-6-propan-2-yl-1H-pyridin-2-one has a molecular weight of 180.25 g/mol, XLogP of 1.52, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-aminoethyl]-6-propan-2-yl-1H-pyridin-2-one is sourced from PubChem (CID 96689933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).