(3E,4Z)-4-butan-2-ylidene-3-prop-2-enylidenepyridine

C12H15N — CID 168932582

IUPAC(3E,4Z)-4-butan-2-ylidene-3-prop-2-enylidenepyridine
SMILESC=C/C=c1/cncc/c1=C(\C)CC
InChIInChI=1S/C12H15N/c1-4-6-11-9-13-8-7-12(11)10(3)5-2/h4,6-9H,1,5H2,2-3H3/b11-6-,12-10-
InChIKeyRJEYCZAVLBRILF-SUYBHAEQSA-N
MW173.26 g/mol
LogP1.63
Rot. Bonds2

About (3E,4Z)-4-butan-2-ylidene-3-prop-2-enylidenepyridine

(3E,4Z)-4-butan-2-ylidene-3-prop-2-enylidenepyridine (PubChem CID 168932582) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is (3E,4Z)-4-butan-2-ylidene-3-prop-2-enylidenepyridine.

Molecular Properties

Compound Name(3E,4Z)-4-butan-2-ylidene-3-prop-2-enylidenepyridine
PubChem CID168932582
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name(3E,4Z)-4-butan-2-ylidene-3-prop-2-enylidenepyridine
SMILESC=C/C=c1/cncc/c1=C(\C)CC
InChIInChI=1S/C12H15N/c1-4-6-11-9-13-8-7-12(11)10(3)5-2/h4,6-9H,1,5H2,2-3H3/b11-6-,12-10-
InChIKeyRJEYCZAVLBRILF-SUYBHAEQSA-N
XLogP1.63
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3E,4Z)-3-prop-2-enylidene-4-propylidenepyridine
CID 139406239
(5E)-4-propan-2-ylidene-5-prop-2-enylidenepyridazine
CID 168932467
(3E)-3-ethylidene-4-methylidenepyridine
CID 143722515
1-(4-ethyl-3-pyridinyl)propan-2-one
CID 83826723
4-[(Z)-2-ethenylbut-2-enyl]-3-ethylpyridine
CID 173481390
4-[(3E)-4-methylhexa-1,3,5-trien-3-yl]pyridine;propane
CID 156737667
4-[(Z)-but-2-en-2-yl]-3-ethylpyridine
CID 143124688
(4E)-5-propan-2-ylidene-4-prop-2-enylidenepyrimidine
CID 168932435
(5E)-3-(1-methylcyclopentyl)-4-methylidene-5-prop-2-enylidenepyridine
CID 170176758
4-methyl-3-[(Z)-3-methylidenepent-1-enyl]pyridine
CID 145372695
(E)-1-(4-prop-2-enyl-3-pyridinyl)prop-1-en-2-amine
CID 155131804
3-[[(3Z)-4-methylidene-3-prop-2-enylidenecyclohexa-1,5-dien-1-yl]methyl]-1H-1,6-naphthyridin-2-one
CID 166457892

Frequently Asked Questions

What is the IUPAC name of (3E,4Z)-4-butan-2-ylidene-3-prop-2-enylidenepyridine?
The IUPAC name of (3E,4Z)-4-butan-2-ylidene-3-prop-2-enylidenepyridine (CID 168932582) is (3E,4Z)-4-butan-2-ylidene-3-prop-2-enylidenepyridine.
What is the SMILES notation for (3E,4Z)-4-butan-2-ylidene-3-prop-2-enylidenepyridine?
The canonical SMILES for (3E,4Z)-4-butan-2-ylidene-3-prop-2-enylidenepyridine is C=C/C=c1/cncc/c1=C(\C)CC.
What is the InChIKey of (3E,4Z)-4-butan-2-ylidene-3-prop-2-enylidenepyridine?
The InChIKey is RJEYCZAVLBRILF-SUYBHAEQSA-N. The full InChI is InChI=1S/C12H15N/c1-4-6-11-9-13-8-7-12(11)10(3)5-2/h4,6-9H,1,5H2,2-3H3/b11-6-,12-10-.
What are the key properties of (3E,4Z)-4-butan-2-ylidene-3-prop-2-enylidenepyridine?
(3E,4Z)-4-butan-2-ylidene-3-prop-2-enylidenepyridine has a molecular weight of 173.26 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,4Z)-4-butan-2-ylidene-3-prop-2-enylidenepyridine is sourced from PubChem (CID 168932582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).