3-[(E)-5-methylhex-2-en-2-yl]pyridine

C12H17N — CID 18346839

IUPAC3-[(E)-5-methylhex-2-en-2-yl]pyridine
SMILESC/C(=C\CC(C)C)c1cccnc1
InChIInChI=1S/C12H17N/c1-10(2)6-7-11(3)12-5-4-8-13-9-12/h4-5,7-10H,6H2,1-3H3/b11-7+
InChIKeyIOWSMTJKOVQSAP-YRNVUSSQSA-N
MW175.28 g/mol
LogP3.53
Rot. Bonds3

About 3-[(E)-5-methylhex-2-en-2-yl]pyridine

3-[(E)-5-methylhex-2-en-2-yl]pyridine (PubChem CID 18346839) has the molecular formula C12H17N and a molecular weight of 175.28 g/mol. Its IUPAC name is 3-[(E)-5-methylhex-2-en-2-yl]pyridine.

Molecular Properties

Compound Name3-[(E)-5-methylhex-2-en-2-yl]pyridine
PubChem CID18346839
Molecular FormulaC12H17N
Molecular Weight175.28 g/mol
Exact Mass175.14
IUPAC Name3-[(E)-5-methylhex-2-en-2-yl]pyridine
SMILESC/C(=C\CC(C)C)c1cccnc1
InChIInChI=1S/C12H17N/c1-10(2)6-7-11(3)12-5-4-8-13-9-12/h4-5,7-10H,6H2,1-3H3/b11-7+
InChIKeyIOWSMTJKOVQSAP-YRNVUSSQSA-N
XLogP3.53
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(Z)-but-2-en-2-yl]pyridine
CID 101055092
5-pyridin-3-ylhex-4-en-1-amine
CID 57174688
3-[(2E,4E)-1,5-dibromohexa-2,4-dien-3-yl]pyridine
CID 144607651
1-pyridin-3-ylethanethione
CID 11815891
ethyl 3-pyridin-3-ylbut-2-enoate
CID 54400359
(E)-1-pyridin-3-yl-N-[(E)-1-pyridin-3-ylethylideneamino]ethanimine
CID 5405316
1-pyridin-3-ylethanone;hydrochloride
CID 69233376
(2E,4E)-5-pyridin-3-ylhexa-2,4-dienoic acid
CID 116822591
4-pyridin-3-ylpent-4-en-2-ol
CID 130129461
(Z)-3-hydroxy-1-(4-propan-2-ylphenyl)-3-pyridin-3-ylprop-2-en-1-one
CID 98470060
2-(2-methylpropylsulfanyl)-1-pyridin-3-ylethanone
CID 65138190
4-[(Z)-2-pyridin-3-ylprop-1-enyl]benzoic acid
CID 139662210

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-5-methylhex-2-en-2-yl]pyridine?
The IUPAC name of 3-[(E)-5-methylhex-2-en-2-yl]pyridine (CID 18346839) is 3-[(E)-5-methylhex-2-en-2-yl]pyridine.
What is the SMILES notation for 3-[(E)-5-methylhex-2-en-2-yl]pyridine?
The canonical SMILES for 3-[(E)-5-methylhex-2-en-2-yl]pyridine is C/C(=C\CC(C)C)c1cccnc1.
What is the InChIKey of 3-[(E)-5-methylhex-2-en-2-yl]pyridine?
The InChIKey is IOWSMTJKOVQSAP-YRNVUSSQSA-N. The full InChI is InChI=1S/C12H17N/c1-10(2)6-7-11(3)12-5-4-8-13-9-12/h4-5,7-10H,6H2,1-3H3/b11-7+.
What are the key properties of 3-[(E)-5-methylhex-2-en-2-yl]pyridine?
3-[(E)-5-methylhex-2-en-2-yl]pyridine has a molecular weight of 175.28 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-5-methylhex-2-en-2-yl]pyridine is sourced from PubChem (CID 18346839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).