3-methyl-2-prop-2-enylpyridine

C9H11N — CID 18185591

IUPAC3-methyl-2-prop-2-enylpyridine
SMILESC=CCc1ncccc1C
InChIInChI=1S/C9H11N/c1-3-5-9-8(2)6-4-7-10-9/h3-4,6-7H,1,5H2,2H3
InChIKeyLOWVSGMJBPBFSM-UHFFFAOYSA-N
MW133.19 g/mol
LogP2.12
Rot. Bonds2

About 3-methyl-2-prop-2-enylpyridine

3-methyl-2-prop-2-enylpyridine (PubChem CID 18185591) has the molecular formula C9H11N and a molecular weight of 133.19 g/mol. Its IUPAC name is 3-methyl-2-prop-2-enylpyridine.

Molecular Properties

Compound Name3-methyl-2-prop-2-enylpyridine
PubChem CID18185591
Molecular FormulaC9H11N
Molecular Weight133.19 g/mol
Exact Mass133.09
IUPAC Name3-methyl-2-prop-2-enylpyridine
SMILESC=CCc1ncccc1C
InChIInChI=1S/C9H11N/c1-3-5-9-8(2)6-4-7-10-9/h3-4,6-7H,1,5H2,2H3
InChIKeyLOWVSGMJBPBFSM-UHFFFAOYSA-N
XLogP2.12
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 52.12
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

3-methyl-2-[(3-methyl-2-pyridinyl)methoxymethyl]pyridine
CID 142776988
3-methyl-2-(pyrrol-1-ylmethyl)pyridine
CID 63306746
N,N-dimethyl-1-(3-methyl-2-pyridinyl)methanamine
CID 20666322
2,2-bis[(3-methyl-2-pyridinyl)methyl]propane-1,3-diamine
CID 154305051
azane;2-butyl-3-methylpyridine
CID 175305988
buta-1,3-diene;2,3-dimethylpyridine;ethane
CID 145249818
2-(cyclopropylmethyl)-3-methylpyridine
CID 130382074
2-methyl-1-(3-methyl-2-pyridinyl)propan-2-amine
CID 96849507
2-prop-2-enylpyrimidine
CID 20526273
2-(5-fluoro-3-methylidenehepta-4,6-dienyl)-3-methylpyridine
CID 123581453
2-prop-2-enylpyridine
CID 3015241
2-(3-methyl-2-pyridinyl)-1-pyrimidin-2-ylethanone
CID 114552859

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-prop-2-enylpyridine?
The IUPAC name of 3-methyl-2-prop-2-enylpyridine (CID 18185591) is 3-methyl-2-prop-2-enylpyridine.
What is the SMILES notation for 3-methyl-2-prop-2-enylpyridine?
The canonical SMILES for 3-methyl-2-prop-2-enylpyridine is C=CCc1ncccc1C.
What is the InChIKey of 3-methyl-2-prop-2-enylpyridine?
The InChIKey is LOWVSGMJBPBFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N/c1-3-5-9-8(2)6-4-7-10-9/h3-4,6-7H,1,5H2,2H3.
What are the key properties of 3-methyl-2-prop-2-enylpyridine?
3-methyl-2-prop-2-enylpyridine has a molecular weight of 133.19 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-prop-2-enylpyridine is sourced from PubChem (CID 18185591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).