2-ethenyl-2-ethyl-1H-pyridine

C9H13N — CID 69342076

IUPAC2-ethenyl-2-ethyl-1H-pyridine
SMILESC=CC1(CC)C=CC=CN1
InChIInChI=1S/C9H13N/c1-3-9(4-2)7-5-6-8-10-9/h3,5-8,10H,1,4H2,2H3
InChIKeyMPKVEACGMJCTBV-UHFFFAOYSA-N
MW135.21 g/mol
LogP1.99
Rot. Bonds2

About 2-ethenyl-2-ethyl-1H-pyridine

2-ethenyl-2-ethyl-1H-pyridine (PubChem CID 69342076) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is 2-ethenyl-2-ethyl-1H-pyridine.

Molecular Properties

Compound Name2-ethenyl-2-ethyl-1H-pyridine
PubChem CID69342076
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name2-ethenyl-2-ethyl-1H-pyridine
SMILESC=CC1(CC)C=CC=CN1
InChIInChI=1S/C9H13N/c1-3-9(4-2)7-5-6-8-10-9/h3,5-8,10H,1,4H2,2H3
InChIKeyMPKVEACGMJCTBV-UHFFFAOYSA-N
XLogP1.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Dihydropicoline
CID 5246423
2-Methyl picoline
CID 18347293
2-Methyl-2-vinylpyridine
CID 20131521
3a,7a-dihydro-1H-indole
CID 20577477
3,3-Dimethylisoquinoline
CID 129780060
2-fluoro-2,3-dimethyl-1H-pyridine
CID 22615259
2,2-diethyl-5-fluoro-1H-pyridine
CID 138478316
2-ethyl-2-(trifluoromethyl)-1H-pyridine
CID 141379825
4-fluoro-1-methyl-N-propylcyclohexa-2,4-dien-1-amine
CID 143108220
2-Ethyl-3-fluoro-1,2-dihydropyridine
CID 146384627
5-fluoro-2,2-dimethyl-1H-pyridine
CID 148036096
2-ethyl-2-fluoro-1H-pyridine
CID 153953950

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-2-ethyl-1H-pyridine?
The IUPAC name of 2-ethenyl-2-ethyl-1H-pyridine (CID 69342076) is 2-ethenyl-2-ethyl-1H-pyridine.
What is the SMILES notation for 2-ethenyl-2-ethyl-1H-pyridine?
The canonical SMILES for 2-ethenyl-2-ethyl-1H-pyridine is C=CC1(CC)C=CC=CN1.
What is the InChIKey of 2-ethenyl-2-ethyl-1H-pyridine?
The InChIKey is MPKVEACGMJCTBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N/c1-3-9(4-2)7-5-6-8-10-9/h3,5-8,10H,1,4H2,2H3.
What are the key properties of 2-ethenyl-2-ethyl-1H-pyridine?
2-ethenyl-2-ethyl-1H-pyridine has a molecular weight of 135.21 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-2-ethyl-1H-pyridine is sourced from PubChem (CID 69342076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).