2-[(Z)-2-methylhex-4-en-3-yl]pyridine

C12H17N — CID 170150568

IUPAC2-[(Z)-2-methylhex-4-en-3-yl]pyridine
SMILESC/C=C\C(c1ccccn1)C(C)C
InChIInChI=1S/C12H17N/c1-4-7-11(10(2)3)12-8-5-6-9-13-12/h4-11H,1-3H3/b7-4-
InChIKeyPTHRFOWVNVLSJS-DAXSKMNVSA-N
MW175.27 g/mol
LogP3.40
Rot. Bonds3

About 2-[(Z)-2-methylhex-4-en-3-yl]pyridine

2-[(Z)-2-methylhex-4-en-3-yl]pyridine (PubChem CID 170150568) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is 2-[(Z)-2-methylhex-4-en-3-yl]pyridine.

Molecular Properties

Compound Name2-[(Z)-2-methylhex-4-en-3-yl]pyridine
PubChem CID170150568
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC Name2-[(Z)-2-methylhex-4-en-3-yl]pyridine
SMILESC/C=C\C(c1ccccn1)C(C)C
InChIInChI=1S/C12H17N/c1-4-7-11(10(2)3)12-8-5-6-9-13-12/h4-11H,1-3H3/b7-4-
InChIKeyPTHRFOWVNVLSJS-DAXSKMNVSA-N
XLogP3.40
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 53.40
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

2-[(3E,5Z)-hepta-3,5-dien-2-yl]pyridine
CID 144961155
2-[(E)-hex-4-en-3-yl]pyridine
CID 121321190
2-[(2R)-3-methylbutan-2-yl]pyridine
CID 26793118
(1S)-2-methyl-1-pyridin-2-ylpropan-1-ol
CID 51670363
ethane;2-methylpropane;2-propan-2-ylpyridine
CID 160963174
(1R)-2-methyl-1-pyridin-2-ylpropan-1-amine;dihydrochloride
CID 86767543
2,4-dipyridin-2-ylpentan-3-one
CID 141048798
(1S)-1-pyridin-2-ylethanol;hydrochloride
CID 71757448
2-[(1R)-1-[(1R)-1-pyridin-2-ylethyl]sulfanylethyl]pyridine
CID 15893453
1-pyridin-2-yl-N,N-bis(1-pyridin-2-ylethyl)ethanamine
CID 15806675
2-(dipyridin-2-ylmethyl)pyridine
CID 10332212
(3R)-3-pyridin-2-ylbutan-2-amine
CID 140704268

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-2-methylhex-4-en-3-yl]pyridine?
The IUPAC name of 2-[(Z)-2-methylhex-4-en-3-yl]pyridine (CID 170150568) is 2-[(Z)-2-methylhex-4-en-3-yl]pyridine.
What is the SMILES notation for 2-[(Z)-2-methylhex-4-en-3-yl]pyridine?
The canonical SMILES for 2-[(Z)-2-methylhex-4-en-3-yl]pyridine is C/C=C\C(c1ccccn1)C(C)C.
What is the InChIKey of 2-[(Z)-2-methylhex-4-en-3-yl]pyridine?
The InChIKey is PTHRFOWVNVLSJS-DAXSKMNVSA-N. The full InChI is InChI=1S/C12H17N/c1-4-7-11(10(2)3)12-8-5-6-9-13-12/h4-11H,1-3H3/b7-4-.
What are the key properties of 2-[(Z)-2-methylhex-4-en-3-yl]pyridine?
2-[(Z)-2-methylhex-4-en-3-yl]pyridine has a molecular weight of 175.27 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-2-methylhex-4-en-3-yl]pyridine is sourced from PubChem (CID 170150568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).