4-(propan-2-ylamino)-1H-pyridin-2-one

C8H12N2O — CID 129200431

IUPAC4-(propan-2-ylamino)-1H-pyridin-2-one
SMILESCC(C)Nc1cc[nH]c(=O)c1
InChIInChI=1S/C8H12N2O/c1-6(2)10-7-3-4-9-8(11)5-7/h3-6H,1-2H3,(H2,9,10,11)
InChIKeyCAGONERTCFIELW-UHFFFAOYSA-N
MW152.20 g/mol
LogP1.20
Rot. Bonds2

About 4-(propan-2-ylamino)-1H-pyridin-2-one

4-(propan-2-ylamino)-1H-pyridin-2-one (PubChem CID 129200431) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 4-(propan-2-ylamino)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(propan-2-ylamino)-1H-pyridin-2-one
PubChem CID129200431
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name4-(propan-2-ylamino)-1H-pyridin-2-one
SMILESCC(C)Nc1cc[nH]c(=O)c1
InChIInChI=1S/C8H12N2O/c1-6(2)10-7-3-4-9-8(11)5-7/h3-6H,1-2H3,(H2,9,10,11)
InChIKeyCAGONERTCFIELW-UHFFFAOYSA-N
XLogP1.20
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(propan-2-ylamino)-1H-pyridin-2-one?
The IUPAC name of 4-(propan-2-ylamino)-1H-pyridin-2-one (CID 129200431) is 4-(propan-2-ylamino)-1H-pyridin-2-one.
What is the SMILES notation for 4-(propan-2-ylamino)-1H-pyridin-2-one?
The canonical SMILES for 4-(propan-2-ylamino)-1H-pyridin-2-one is CC(C)Nc1cc[nH]c(=O)c1.
What is the InChIKey of 4-(propan-2-ylamino)-1H-pyridin-2-one?
The InChIKey is CAGONERTCFIELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-6(2)10-7-3-4-9-8(11)5-7/h3-6H,1-2H3,(H2,9,10,11).
What are the key properties of 4-(propan-2-ylamino)-1H-pyridin-2-one?
4-(propan-2-ylamino)-1H-pyridin-2-one has a molecular weight of 152.20 g/mol, XLogP of 1.20, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propan-2-ylamino)-1H-pyridin-2-one is sourced from PubChem (CID 129200431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).