ethane;2-[(2Z)-2-ethenylpenta-2,4-dienyl]pyridine

C14H19N — CID 145149493

IUPACethane;2-[(2Z)-2-ethenylpenta-2,4-dienyl]pyridine
SMILESC=C/C=C(\C=C)Cc1ccccn1.CC
InChIInChI=1S/C12H13N.C2H6/c1-3-7-11(4-2)10-12-8-5-6-9-13-12;1-2/h3-9H,1-2,10H2;1-2H3/b11-7+;
InChIKeyLKJBIWGLIGJTQC-RVDQCCQOSA-N
MW201.31 g/mol
LogP3.95
Rot. Bonds4

About ethane;2-[(2Z)-2-ethenylpenta-2,4-dienyl]pyridine

ethane;2-[(2Z)-2-ethenylpenta-2,4-dienyl]pyridine (PubChem CID 145149493) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is ethane;2-[(2Z)-2-ethenylpenta-2,4-dienyl]pyridine.

Molecular Properties

Compound Nameethane;2-[(2Z)-2-ethenylpenta-2,4-dienyl]pyridine
PubChem CID145149493
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Nameethane;2-[(2Z)-2-ethenylpenta-2,4-dienyl]pyridine
SMILESC=C/C=C(\C=C)Cc1ccccn1.CC
InChIInChI=1S/C12H13N.C2H6/c1-3-7-11(4-2)10-12-8-5-6-9-13-12;1-2/h3-9H,1-2,10H2;1-2H3/b11-7+;
InChIKeyLKJBIWGLIGJTQC-RVDQCCQOSA-N
XLogP3.95
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;[(2Z)-2-ethenylpenta-2,4-dienyl]benzene
CID 142233164
2-(2-methylprop-2-enyl)pyridine
CID 12534227
ethane;[(2Z)-2-ethenylpenta-2,4-dienyl]benzene;(2Z,4Z)-hexa-2,4-diene
CID 145283971
ethane;2-[(3Z,5E)-6-methyl-2-methylidene-7-pyridin-2-ylhepta-3,5-dienyl]pyridine
CID 172578813
2-[(2Z)-2-ethenylpenta-2,4-dienyl]-N-methylaniline
CID 142908128
ethane;pyridin-2-ylmethanol
CID 91461493
2-prop-2-enylpyridine
CID 3015241
(2E,4Z)-2-methyl-N,N-bis(pyridin-2-ylmethyl)hepta-2,4,6-trien-1-amine
CID 142289230
ethane;pyridin-2-ylmethanamine
CID 90791011
ethane;2-ethylpyridine
CID 91102000
3-[(2Z)-2-ethenylpenta-2,4-dienyl]-2-methylquinoline
CID 143380656
ethane;methyl(pyridin-2-ylmethyl)azanium
CID 91331708

Frequently Asked Questions

What is the IUPAC name of ethane;2-[(2Z)-2-ethenylpenta-2,4-dienyl]pyridine?
The IUPAC name of ethane;2-[(2Z)-2-ethenylpenta-2,4-dienyl]pyridine (CID 145149493) is ethane;2-[(2Z)-2-ethenylpenta-2,4-dienyl]pyridine.
What is the SMILES notation for ethane;2-[(2Z)-2-ethenylpenta-2,4-dienyl]pyridine?
The canonical SMILES for ethane;2-[(2Z)-2-ethenylpenta-2,4-dienyl]pyridine is C=C/C=C(\C=C)Cc1ccccn1.CC.
What is the InChIKey of ethane;2-[(2Z)-2-ethenylpenta-2,4-dienyl]pyridine?
The InChIKey is LKJBIWGLIGJTQC-RVDQCCQOSA-N. The full InChI is InChI=1S/C12H13N.C2H6/c1-3-7-11(4-2)10-12-8-5-6-9-13-12;1-2/h3-9H,1-2,10H2;1-2H3/b11-7+;.
What are the key properties of ethane;2-[(2Z)-2-ethenylpenta-2,4-dienyl]pyridine?
ethane;2-[(2Z)-2-ethenylpenta-2,4-dienyl]pyridine has a molecular weight of 201.31 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[(2Z)-2-ethenylpenta-2,4-dienyl]pyridine is sourced from PubChem (CID 145149493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).