3-amino-1-pyridin-2-ylpropan-1-one

C8H10N2O — CID 45079500

IUPAC3-amino-1-pyridin-2-ylpropan-1-one
SMILESNCCC(=O)c1ccccn1
InChIInChI=1S/C8H10N2O/c9-5-4-8(11)7-3-1-2-6-10-7/h1-3,6H,4-5,9H2
InChIKeyRCNLSRKMIAFYEP-UHFFFAOYSA-N
MW150.18 g/mol
LogP0.61
Rot. Bonds3

About 3-amino-1-pyridin-2-ylpropan-1-one

3-amino-1-pyridin-2-ylpropan-1-one (PubChem CID 45079500) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is 3-amino-1-pyridin-2-ylpropan-1-one.

Molecular Properties

Compound Name3-amino-1-pyridin-2-ylpropan-1-one
PubChem CID45079500
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Name3-amino-1-pyridin-2-ylpropan-1-one
SMILESNCCC(=O)c1ccccn1
InChIInChI=1S/C8H10N2O/c9-5-4-8(11)7-3-1-2-6-10-7/h1-3,6H,4-5,9H2
InChIKeyRCNLSRKMIAFYEP-UHFFFAOYSA-N
XLogP0.61
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,4-dimethyl-1-pyridin-2-ylpentan-1-one
CID 62620197
1-pyridin-2-yl-4-sulfanylbutan-1-one
CID 20509868
1-(2-fluorophenyl)-4-pyridin-2-ylbutane-1,4-dione
CID 90354643
1-pyridin-2-ylhexan-1-one
CID 556347
3-anilino-1-pyridin-2-ylpropan-1-one
CID 12523109
4-(methylamino)-1-pyridin-2-ylbutan-1-one
CID 83816768
1-pyridin-2-ylbutane-1,3-dione
CID 12707221
3-oxo-3-pyridin-2-ylpropanal
CID 22486385
4-ethoxy-1-pyridin-2-ylbutan-1-one
CID 45074562
4-methylsulfonyl-1-pyridin-2-ylbutan-1-one
CID 63192067
3-hydroxy-3-methyl-1-pyridin-2-ylbutan-1-one
CID 175849018
butane;ethane;1-pyridin-2-ylpropan-1-one
CID 144892300

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-pyridin-2-ylpropan-1-one?
The IUPAC name of 3-amino-1-pyridin-2-ylpropan-1-one (CID 45079500) is 3-amino-1-pyridin-2-ylpropan-1-one.
What is the SMILES notation for 3-amino-1-pyridin-2-ylpropan-1-one?
The canonical SMILES for 3-amino-1-pyridin-2-ylpropan-1-one is NCCC(=O)c1ccccn1.
What is the InChIKey of 3-amino-1-pyridin-2-ylpropan-1-one?
The InChIKey is RCNLSRKMIAFYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O/c9-5-4-8(11)7-3-1-2-6-10-7/h1-3,6H,4-5,9H2.
What are the key properties of 3-amino-1-pyridin-2-ylpropan-1-one?
3-amino-1-pyridin-2-ylpropan-1-one has a molecular weight of 150.18 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-pyridin-2-ylpropan-1-one is sourced from PubChem (CID 45079500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).