ethane;3-methyl-4-prop-2-enylpyridine

C11H17N — CID 143260115

IUPACethane;3-methyl-4-prop-2-enylpyridine
SMILESC=CCc1ccncc1C.CC
InChIInChI=1S/C9H11N.C2H6/c1-3-4-9-5-6-10-7-8(9)2;1-2/h3,5-7H,1,4H2,2H3;1-2H3
InChIKeyJZKUPXHCQJZXOW-UHFFFAOYSA-N
MW163.26 g/mol
LogP3.14
Rot. Bonds2

About ethane;3-methyl-4-prop-2-enylpyridine

ethane;3-methyl-4-prop-2-enylpyridine (PubChem CID 143260115) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is ethane;3-methyl-4-prop-2-enylpyridine.

Molecular Properties

Compound Nameethane;3-methyl-4-prop-2-enylpyridine
PubChem CID143260115
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Nameethane;3-methyl-4-prop-2-enylpyridine
SMILESC=CCc1ccncc1C.CC
InChIInChI=1S/C9H11N.C2H6/c1-3-4-9-5-6-10-7-8(9)2;1-2/h3,5-7H,1,4H2,2H3;1-2H3
InChIKeyJZKUPXHCQJZXOW-UHFFFAOYSA-N
XLogP3.14
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze ethane;3-methyl-4-prop-2-enylpyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-4-(2-prop-2-enylphenyl)pyridine
CID 66828057
4-prop-2-enylpyridine-3-carbaldehyde
CID 11309589
ethane;N-methyl-1-(3-methyl-4-pyridinyl)methanamine
CID 144800365
(E)-1-(4-prop-2-enyl-3-pyridinyl)prop-1-en-2-amine
CID 155131804
1-methyl-2-prop-2-enylbenzene;sulfane
CID 174918280
methane;1-methyl-2-prop-2-enylbenzene
CID 174365033
N,N,3-tris(prop-2-enyl)pyridin-4-amine
CID 173102385
(3-methyl-4-pyridinyl)methanesulfonyl chloride
CID 130516221
4-heptyl-3-methylpyridine
CID 143666243
1-ethyl-2-[2-(3-methyl-4-pyridinyl)ethyl]-3-prop-2-enylguanidine
CID 136824011
3-methyl-4-[2-(4-phenylphenyl)ethyl]pyridine
CID 175565400
3-(3-methyl-4-pyridinyl)propanoic acid
CID 66322322

Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-4-prop-2-enylpyridine?
The IUPAC name of ethane;3-methyl-4-prop-2-enylpyridine (CID 143260115) is ethane;3-methyl-4-prop-2-enylpyridine.
What is the SMILES notation for ethane;3-methyl-4-prop-2-enylpyridine?
The canonical SMILES for ethane;3-methyl-4-prop-2-enylpyridine is C=CCc1ccncc1C.CC.
What is the InChIKey of ethane;3-methyl-4-prop-2-enylpyridine?
The InChIKey is JZKUPXHCQJZXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N.C2H6/c1-3-4-9-5-6-10-7-8(9)2;1-2/h3,5-7H,1,4H2,2H3;1-2H3.
What are the key properties of ethane;3-methyl-4-prop-2-enylpyridine?
ethane;3-methyl-4-prop-2-enylpyridine has a molecular weight of 163.26 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-4-prop-2-enylpyridine is sourced from PubChem (CID 143260115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).