2-(3-methylbut-3-enyl)pyridine-4-carbonitrile

C11H12N2 — CID 10654779

IUPAC2-(3-methylbut-3-enyl)pyridine-4-carbonitrile
SMILESC=C(C)CCc1cc(C#N)ccn1
InChIInChI=1S/C11H12N2/c1-9(2)3-4-11-7-10(8-12)5-6-13-11/h5-7H,1,3-4H2,2H3
InChIKeyPYIALANPWGGHPI-UHFFFAOYSA-N
MW172.23 g/mol
LogP2.46
Rot. Bonds3

About 2-(3-methylbut-3-enyl)pyridine-4-carbonitrile

2-(3-methylbut-3-enyl)pyridine-4-carbonitrile (PubChem CID 10654779) has the molecular formula C11H12N2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 2-(3-methylbut-3-enyl)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(3-methylbut-3-enyl)pyridine-4-carbonitrile
PubChem CID10654779
Molecular FormulaC11H12N2
Molecular Weight172.23 g/mol
Exact Mass172.10
IUPAC Name2-(3-methylbut-3-enyl)pyridine-4-carbonitrile
SMILESC=C(C)CCc1cc(C#N)ccn1
InChIInChI=1S/C11H12N2/c1-9(2)3-4-11-7-10(8-12)5-6-13-11/h5-7H,1,3-4H2,2H3
InChIKeyPYIALANPWGGHPI-UHFFFAOYSA-N
XLogP2.46
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-(4-cyano-2-pyridinyl)propanoate
CID 67528036
2-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]pyridine-4-carbonitrile
CID 139407498
N-[(4-cyano-2-pyridinyl)methyl]-N-methylacetamide
CID 178152271
2-(4-methyl-2-oxopentyl)pyridine-4-carbonitrile
CID 157147988
4-methyl-3-(3-methylbut-3-enoxy)benzonitrile
CID 104922613
2-methylpyridine-4-carbonitrile
CID 118703758
2-[2-[phenyl(propan-2-yl)phosphoryl]ethyl]pyridine-4-carbonitrile
CID 169100395
2-[3-[(4Z,6Z)-3-methylideneocta-4,6-dienyl]pyrazol-1-yl]pyridine-4-carbonitrile
CID 118311690
2-[(2-aminoimidazol-1-yl)methyl]pyridine-4-carbonitrile
CID 165472539
4-(3-methylbut-3-enoxy)-3-(trifluoromethyl)benzonitrile
CID 114472632
2-[(4-cyano-2-pyridinyl)sulfanyl]-N-ethyl-N-(2-methylprop-2-enyl)propanamide
CID 86997503
2-(3-methylpentan-3-ylamino)pyridine-4-carbonitrile
CID 106328947

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbut-3-enyl)pyridine-4-carbonitrile?
The IUPAC name of 2-(3-methylbut-3-enyl)pyridine-4-carbonitrile (CID 10654779) is 2-(3-methylbut-3-enyl)pyridine-4-carbonitrile.
What is the SMILES notation for 2-(3-methylbut-3-enyl)pyridine-4-carbonitrile?
The canonical SMILES for 2-(3-methylbut-3-enyl)pyridine-4-carbonitrile is C=C(C)CCc1cc(C#N)ccn1.
What is the InChIKey of 2-(3-methylbut-3-enyl)pyridine-4-carbonitrile?
The InChIKey is PYIALANPWGGHPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2/c1-9(2)3-4-11-7-10(8-12)5-6-13-11/h5-7H,1,3-4H2,2H3.
What are the key properties of 2-(3-methylbut-3-enyl)pyridine-4-carbonitrile?
2-(3-methylbut-3-enyl)pyridine-4-carbonitrile has a molecular weight of 172.23 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbut-3-enyl)pyridine-4-carbonitrile is sourced from PubChem (CID 10654779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).