(2E,3E)-2-[(Z)-but-2-enylidene]-3-(2-methylpropylidene)pyrazine

C12H16N2 — CID 143288926

IUPAC(2E,3E)-2-[(Z)-but-2-enylidene]-3-(2-methylpropylidene)pyrazine
SMILESC/C=C\C=c1\nccn\c1=C\C(C)C
InChIInChI=1S/C12H16N2/c1-4-5-6-11-12(9-10(2)3)14-8-7-13-11/h4-10H,1-3H3/b5-4-,11-6+,12-9+
InChIKeyKBDRHZQFBQBSGJ-OVAYLXFDSA-N
MW188.27 g/mol
LogP1.27
Rot. Bonds2

About (2E,3E)-2-[(Z)-but-2-enylidene]-3-(2-methylpropylidene)pyrazine

(2E,3E)-2-[(Z)-but-2-enylidene]-3-(2-methylpropylidene)pyrazine (PubChem CID 143288926) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is (2E,3E)-2-[(Z)-but-2-enylidene]-3-(2-methylpropylidene)pyrazine.

Molecular Properties

Compound Name(2E,3E)-2-[(Z)-but-2-enylidene]-3-(2-methylpropylidene)pyrazine
PubChem CID143288926
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name(2E,3E)-2-[(Z)-but-2-enylidene]-3-(2-methylpropylidene)pyrazine
SMILESC/C=C\C=c1\nccn\c1=C\C(C)C
InChIInChI=1S/C12H16N2/c1-4-5-6-11-12(9-10(2)3)14-8-7-13-11/h4-10H,1-3H3/b5-4-,11-6+,12-9+
InChIKeyKBDRHZQFBQBSGJ-OVAYLXFDSA-N
XLogP1.27
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(6-propylidenecyclohexa-1,3-dien-1-yl)propan-1-imine
CID 53831115
2-propan-2-yl-3H-pyridin-3-ide;yttrium
CID 58365235
(2E)-3-methylidene-2-prop-2-enylidenepyridine
CID 60116677
N-(6-methylcyclohexa-1,5-dien-1-yl)ethanimine
CID 68266833
N-[6-(methylideneamino)cyclohexa-1,5-dien-1-yl]ethanimine
CID 68360465
3-Methylidene-2-prop-2-enylidenepyridine
CID 72652539
(2E)-N-methyl-2-(3-methylidene-2-pyridinylidene)ethanimine
CID 88271063
(2E)-2-[(Z)-but-2-enylidene]-3H-pyridine
CID 88542841
(2E,3Z)-2,3-di(ethylidene)pyridine
CID 88552849
(2E,3Z)-2-[(2Z,4Z)-hepta-2,4,6-trienylidene]-3-prop-2-enylidenepyridine
CID 88561271
(3Z)-2-methylidene-3-[(2Z,4Z,6Z)-nona-2,4,6,8-tetraenylidene]pyridine
CID 88561456
(2E,3E)-2-ethylidene-3-propylidenepyrazine
CID 88952359

Frequently Asked Questions

What is the IUPAC name of (2E,3E)-2-[(Z)-but-2-enylidene]-3-(2-methylpropylidene)pyrazine?
The IUPAC name of (2E,3E)-2-[(Z)-but-2-enylidene]-3-(2-methylpropylidene)pyrazine (CID 143288926) is (2E,3E)-2-[(Z)-but-2-enylidene]-3-(2-methylpropylidene)pyrazine.
What is the SMILES notation for (2E,3E)-2-[(Z)-but-2-enylidene]-3-(2-methylpropylidene)pyrazine?
The canonical SMILES for (2E,3E)-2-[(Z)-but-2-enylidene]-3-(2-methylpropylidene)pyrazine is C/C=C\C=c1\nccn\c1=C\C(C)C.
What is the InChIKey of (2E,3E)-2-[(Z)-but-2-enylidene]-3-(2-methylpropylidene)pyrazine?
The InChIKey is KBDRHZQFBQBSGJ-OVAYLXFDSA-N. The full InChI is InChI=1S/C12H16N2/c1-4-5-6-11-12(9-10(2)3)14-8-7-13-11/h4-10H,1-3H3/b5-4-,11-6+,12-9+.
What are the key properties of (2E,3E)-2-[(Z)-but-2-enylidene]-3-(2-methylpropylidene)pyrazine?
(2E,3E)-2-[(Z)-but-2-enylidene]-3-(2-methylpropylidene)pyrazine has a molecular weight of 188.27 g/mol, XLogP of 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3E)-2-[(Z)-but-2-enylidene]-3-(2-methylpropylidene)pyrazine is sourced from PubChem (CID 143288926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).