2-[(Z)-5-methoxyhex-4-enyl]pyridine

C12H17NO — CID 14312400

IUPAC2-[(Z)-5-methoxyhex-4-enyl]pyridine
SMILESCO/C(C)=C\CCCc1ccccn1
InChIInChI=1S/C12H17NO/c1-11(14-2)7-3-4-8-12-9-5-6-10-13-12/h5-7,9-10H,3-4,8H2,1-2H3/b11-7-
InChIKeyJNLKNLBWIICQCU-XFFZJAGNSA-N
MW191.27 g/mol
LogP2.95
Rot. Bonds5

About 2-[(Z)-5-methoxyhex-4-enyl]pyridine

2-[(Z)-5-methoxyhex-4-enyl]pyridine (PubChem CID 14312400) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 2-[(Z)-5-methoxyhex-4-enyl]pyridine.

Molecular Properties

Compound Name2-[(Z)-5-methoxyhex-4-enyl]pyridine
PubChem CID14312400
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name2-[(Z)-5-methoxyhex-4-enyl]pyridine
SMILESCO/C(C)=C\CCCc1ccccn1
InChIInChI=1S/C12H17NO/c1-11(14-2)7-3-4-8-12-9-5-6-10-13-12/h5-7,9-10H,3-4,8H2,1-2H3/b11-7-
InChIKeyJNLKNLBWIICQCU-XFFZJAGNSA-N
XLogP2.95
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(5-methyloct-4-enyl)pyridine
CID 123569284
2-hex-4-enylpyridine
CID 174507430
2-(14-pyridin-2-yltetradecyl)pyridine
CID 10594187
4-pyridin-2-ylbutan-1-imine
CID 91482132
methyl 2-methyl-4-(2-pyridin-2-ylethoxy)but-2-enoate
CID 77076347
5-pyridin-2-ylpentanal
CID 13416615
trimethoxy(2-pyridin-2-ylethyl)silane
CID 158126739
2-undecylpyridine
CID 66882765
9-pyridin-2-ylnonan-1-ol
CID 12680899
(2R)-5-pyridin-2-ylpentan-2-ol
CID 149104953
2-oct-7-enylpyridine
CID 57031977
N-ethyl-3-pyridin-2-ylpropan-1-amine
CID 59134802

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-5-methoxyhex-4-enyl]pyridine?
The IUPAC name of 2-[(Z)-5-methoxyhex-4-enyl]pyridine (CID 14312400) is 2-[(Z)-5-methoxyhex-4-enyl]pyridine.
What is the SMILES notation for 2-[(Z)-5-methoxyhex-4-enyl]pyridine?
The canonical SMILES for 2-[(Z)-5-methoxyhex-4-enyl]pyridine is CO/C(C)=C\CCCc1ccccn1.
What is the InChIKey of 2-[(Z)-5-methoxyhex-4-enyl]pyridine?
The InChIKey is JNLKNLBWIICQCU-XFFZJAGNSA-N. The full InChI is InChI=1S/C12H17NO/c1-11(14-2)7-3-4-8-12-9-5-6-10-13-12/h5-7,9-10H,3-4,8H2,1-2H3/b11-7-.
What are the key properties of 2-[(Z)-5-methoxyhex-4-enyl]pyridine?
2-[(Z)-5-methoxyhex-4-enyl]pyridine has a molecular weight of 191.27 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-5-methoxyhex-4-enyl]pyridine is sourced from PubChem (CID 14312400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).