3-amino-5-propan-2-yl-1H-pyridin-2-one

C8H12N2O — CID 105429770

IUPAC3-amino-5-propan-2-yl-1H-pyridin-2-one
SMILESCC(C)c1c[nH]c(=O)c(N)c1
InChIInChI=1S/C8H12N2O/c1-5(2)6-3-7(9)8(11)10-4-6/h3-5H,9H2,1-2H3,(H,10,11)
InChIKeyYESSEEXFFBXDPP-UHFFFAOYSA-N
MW152.20 g/mol
LogP1.08
Rot. Bonds1

About 3-amino-5-propan-2-yl-1H-pyridin-2-one

3-amino-5-propan-2-yl-1H-pyridin-2-one (PubChem CID 105429770) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 3-amino-5-propan-2-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-amino-5-propan-2-yl-1H-pyridin-2-one
PubChem CID105429770
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name3-amino-5-propan-2-yl-1H-pyridin-2-one
SMILESCC(C)c1c[nH]c(=O)c(N)c1
InChIInChI=1S/C8H12N2O/c1-5(2)6-3-7(9)8(11)10-4-6/h3-5H,9H2,1-2H3,(H,10,11)
InChIKeyYESSEEXFFBXDPP-UHFFFAOYSA-N
XLogP1.08
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-5-propan-2-yl-1H-pyridin-2-one
CID 145320193
3-amino-5-(3-bromo-1,2-dihydroxypropyl)-1H-pyridin-2-one
CID 171859671
3-amino-5-fluoro-1H-pyridin-2-one;ethanol
CID 158251621
3-amino-5-(4-methylphenyl)-1H-pyridin-2-one
CID 82076397
4-amino-5-methyl-3-propan-2-yl-1H-pyridin-2-one
CID 169246666
4-propan-2-yl-1H-pyrrole-2-carboxylic acid
CID 67231761
4-amino-3-propan-2-yl-1H-pyridin-2-one
CID 147790863
ethane;2-methyl-4-propan-2-yl-1H-pyrrole;molecular hydrogen
CID 177161315
5-[(1R)-1-amino-2,2-dimethylpropyl]-3-methyl-1H-pyridin-2-one
CID 130857100
5-propan-2-yl-1H-indol-7-amine
CID 130368209
5-amino-3-methyl-1H-pyridin-2-one
CID 62475744
5-(1,2-diaminoethyl)-3-methyl-1H-pyridin-2-one
CID 55293763

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-propan-2-yl-1H-pyridin-2-one?
The IUPAC name of 3-amino-5-propan-2-yl-1H-pyridin-2-one (CID 105429770) is 3-amino-5-propan-2-yl-1H-pyridin-2-one.
What is the SMILES notation for 3-amino-5-propan-2-yl-1H-pyridin-2-one?
The canonical SMILES for 3-amino-5-propan-2-yl-1H-pyridin-2-one is CC(C)c1c[nH]c(=O)c(N)c1.
What is the InChIKey of 3-amino-5-propan-2-yl-1H-pyridin-2-one?
The InChIKey is YESSEEXFFBXDPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-5(2)6-3-7(9)8(11)10-4-6/h3-5H,9H2,1-2H3,(H,10,11).
What are the key properties of 3-amino-5-propan-2-yl-1H-pyridin-2-one?
3-amino-5-propan-2-yl-1H-pyridin-2-one has a molecular weight of 152.20 g/mol, XLogP of 1.08, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-propan-2-yl-1H-pyridin-2-one is sourced from PubChem (CID 105429770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).