1-(5-prop-1-en-2-yl-2-pyridinyl)ethanone

C10H11NO — CID 45086200

IUPAC1-(5-prop-1-en-2-yl-2-pyridinyl)ethanone
SMILESC=C(C)c1ccc(C(C)=O)nc1
InChIInChI=1S/C10H11NO/c1-7(2)9-4-5-10(8(3)12)11-6-9/h4-6H,1H2,2-3H3
InChIKeyBXWKVBTUKYCJHK-UHFFFAOYSA-N
MW161.20 g/mol
LogP2.32
Rot. Bonds2

About 1-(5-prop-1-en-2-yl-2-pyridinyl)ethanone

1-(5-prop-1-en-2-yl-2-pyridinyl)ethanone (PubChem CID 45086200) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 1-(5-prop-1-en-2-yl-2-pyridinyl)ethanone.

Molecular Properties

Compound Name1-(5-prop-1-en-2-yl-2-pyridinyl)ethanone
PubChem CID45086200
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name1-(5-prop-1-en-2-yl-2-pyridinyl)ethanone
SMILESC=C(C)c1ccc(C(C)=O)nc1
InChIInChI=1S/C10H11NO/c1-7(2)9-4-5-10(8(3)12)11-6-9/h4-6H,1H2,2-3H3
InChIKeyBXWKVBTUKYCJHK-UHFFFAOYSA-N
XLogP2.32
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-acetylpyridine-3-carboxylic acid
CID 22323784
tert-butyl 5-prop-1-en-2-ylpyridine-2-carboxylate
CID 156787267
6-prop-1-en-2-ylpyridine-3-carboxamide
CID 123173194
N-(4-methylphenyl)-5-prop-1-en-2-ylpyridine-2-carboxamide
CID 123868777
2-fluoro-5-prop-1-en-2-ylpyridine
CID 66600333
1-[5-(dimethylamino)-2-pyridinyl]ethanone
CID 45086299
1-(5-phenyl-2-pyridinyl)ethanone
CID 12054301
pyridine-2,5-dicarboxylic acid
CID 158970171
(6-acetyl-3-pyridinyl)carbamic acid
CID 121318234
1-[5-[ethyl(2-methylprop-2-enyl)amino]-2-pyridinyl]ethanone
CID 83120327
1-[5-[hydroxy(methoxy)methyl]-2-pyridinyl]ethanone
CID 123393124
1-[5-(4-propan-2-ylphenyl)sulfanyl-2-pyridinyl]ethanone
CID 83119488

Frequently Asked Questions

What is the IUPAC name of 1-(5-prop-1-en-2-yl-2-pyridinyl)ethanone?
The IUPAC name of 1-(5-prop-1-en-2-yl-2-pyridinyl)ethanone (CID 45086200) is 1-(5-prop-1-en-2-yl-2-pyridinyl)ethanone.
What is the SMILES notation for 1-(5-prop-1-en-2-yl-2-pyridinyl)ethanone?
The canonical SMILES for 1-(5-prop-1-en-2-yl-2-pyridinyl)ethanone is C=C(C)c1ccc(C(C)=O)nc1.
What is the InChIKey of 1-(5-prop-1-en-2-yl-2-pyridinyl)ethanone?
The InChIKey is BXWKVBTUKYCJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c1-7(2)9-4-5-10(8(3)12)11-6-9/h4-6H,1H2,2-3H3.
What are the key properties of 1-(5-prop-1-en-2-yl-2-pyridinyl)ethanone?
1-(5-prop-1-en-2-yl-2-pyridinyl)ethanone has a molecular weight of 161.20 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-prop-1-en-2-yl-2-pyridinyl)ethanone is sourced from PubChem (CID 45086200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).