2-(methylamino)-1-pyridin-3-ylprop-2-en-1-one

C9H10N2O — CID 141355230

IUPAC2-(methylamino)-1-pyridin-3-ylprop-2-en-1-one
SMILESC=C(NC)C(=O)c1cccnc1
InChIInChI=1S/C9H10N2O/c1-7(10-2)9(12)8-4-3-5-11-6-8/h3-6,10H,1H2,2H3
InChIKeyFYTILJRSLAQOQW-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.00
Rot. Bonds3

About 2-(methylamino)-1-pyridin-3-ylprop-2-en-1-one

2-(methylamino)-1-pyridin-3-ylprop-2-en-1-one (PubChem CID 141355230) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 2-(methylamino)-1-pyridin-3-ylprop-2-en-1-one.

Molecular Properties

Compound Name2-(methylamino)-1-pyridin-3-ylprop-2-en-1-one
PubChem CID141355230
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name2-(methylamino)-1-pyridin-3-ylprop-2-en-1-one
SMILESC=C(NC)C(=O)c1cccnc1
InChIInChI=1S/C9H10N2O/c1-7(10-2)9(12)8-4-3-5-11-6-8/h3-6,10H,1H2,2H3
InChIKeyFYTILJRSLAQOQW-UHFFFAOYSA-N
XLogP1.00
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-methylpyridine-3-carboxamide chloride
CID 20976730
1-phenyl-2-pyridin-3-ylethane-1,2-dione
CID 10987556
ethyl 3-(pyridine-3-carbonyl)but-3-enoate
CID 22457754
(111C)methyl pyridine-3-carboxylate
CID 11309537
2,3-dioxo-3-pyridin-3-ylpropanoic acid
CID 83529828
2-pyridin-3-ylpent-1-en-3-one
CID 155931297
methanesulfonic acid;2-pyridin-3-ylprop-2-enamide
CID 174863919
1-pyridin-3-ylethanone;hydrochloride
CID 69233376
N-sulfanylidenepyridine-3-carboxamide
CID 23289350
1-pyrazin-2-yl-2-pyridin-3-ylethane-1,2-dione
CID 57283550
(Z)-N,N'-dimethyl-1-pyridin-3-ylethene-1,2-diamine
CID 70250575
2-amino-3-methylsulfanyl-1-pyridin-3-ylprop-2-en-1-one
CID 174924357

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-1-pyridin-3-ylprop-2-en-1-one?
The IUPAC name of 2-(methylamino)-1-pyridin-3-ylprop-2-en-1-one (CID 141355230) is 2-(methylamino)-1-pyridin-3-ylprop-2-en-1-one.
What is the SMILES notation for 2-(methylamino)-1-pyridin-3-ylprop-2-en-1-one?
The canonical SMILES for 2-(methylamino)-1-pyridin-3-ylprop-2-en-1-one is C=C(NC)C(=O)c1cccnc1.
What is the InChIKey of 2-(methylamino)-1-pyridin-3-ylprop-2-en-1-one?
The InChIKey is FYTILJRSLAQOQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c1-7(10-2)9(12)8-4-3-5-11-6-8/h3-6,10H,1H2,2H3.
What are the key properties of 2-(methylamino)-1-pyridin-3-ylprop-2-en-1-one?
2-(methylamino)-1-pyridin-3-ylprop-2-en-1-one has a molecular weight of 162.19 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-1-pyridin-3-ylprop-2-en-1-one is sourced from PubChem (CID 141355230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).