4-ethenyl-1-prop-2-enyl-2H-pyridine

C10H13N — CID 66654685

IUPAC4-ethenyl-1-prop-2-enyl-2H-pyridine
SMILESC=CCN1C=CC(C=C)=CC1
InChIInChI=1S/C10H13N/c1-3-7-11-8-5-10(4-2)6-9-11/h3-6,8H,1-2,7,9H2
InChIKeyXIQHAOPUYFCIIT-UHFFFAOYSA-N
MW147.22 g/mol
LogP2.11
Rot. Bonds3

About 4-ethenyl-1-prop-2-enyl-2H-pyridine

4-ethenyl-1-prop-2-enyl-2H-pyridine (PubChem CID 66654685) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is 4-ethenyl-1-prop-2-enyl-2H-pyridine.

Molecular Properties

Compound Name4-ethenyl-1-prop-2-enyl-2H-pyridine
PubChem CID66654685
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC Name4-ethenyl-1-prop-2-enyl-2H-pyridine
SMILESC=CCN1C=CC(C=C)=CC1
InChIInChI=1S/C10H13N/c1-3-7-11-8-5-10(4-2)6-9-11/h3-6,8H,1-2,7,9H2
InChIKeyXIQHAOPUYFCIIT-UHFFFAOYSA-N
XLogP2.11
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(1-Prop-2-enylpyridin-4-ylidene)ethylidene]propanedinitrile
CID 4343310
Pyridine, 2-(1Z)-1-buten-1-yl-
CID 56972623
3-Ethyl-1-methyl-1,2-dihydropyridine
CID 12506166
5-ethyl-1-methyl-2H-pyridine
CID 12506167
1,4-Dimethyl-1,2-dihydropyridine
CID 13496664
N-allyl-1,2-dihydropyridine
CID 19829269
N-butyl-4-methylpyridine
CID 20650803
4-vinyl-N-ethylpyridine
CID 22178796
n-Methyl-4-vinylpyridine
CID 22463631
3-Methyl-1-butylpyridine
CID 66729190
1,1'-Diallyl-4,4'-bipyridine
CID 67830817
4-methyl-1-(2,2,2-trifluoroethyl)-2H-pyridine
CID 150628397

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-1-prop-2-enyl-2H-pyridine?
The IUPAC name of 4-ethenyl-1-prop-2-enyl-2H-pyridine (CID 66654685) is 4-ethenyl-1-prop-2-enyl-2H-pyridine.
What is the SMILES notation for 4-ethenyl-1-prop-2-enyl-2H-pyridine?
The canonical SMILES for 4-ethenyl-1-prop-2-enyl-2H-pyridine is C=CCN1C=CC(C=C)=CC1.
What is the InChIKey of 4-ethenyl-1-prop-2-enyl-2H-pyridine?
The InChIKey is XIQHAOPUYFCIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N/c1-3-7-11-8-5-10(4-2)6-9-11/h3-6,8H,1-2,7,9H2.
What are the key properties of 4-ethenyl-1-prop-2-enyl-2H-pyridine?
4-ethenyl-1-prop-2-enyl-2H-pyridine has a molecular weight of 147.22 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1-prop-2-enyl-2H-pyridine is sourced from PubChem (CID 66654685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).