(2Z,3Z)-3-ethylidene-2-(3-methylpent-3-en-2-ylidene)pyridine

C13H17N — CID 134386433

IUPAC(2Z,3Z)-3-ethylidene-2-(3-methylpent-3-en-2-ylidene)pyridine
SMILESCC=C(C)/C(C)=c1\nccc\c1=C\C
InChIInChI=1S/C13H17N/c1-5-10(3)11(4)13-12(6-2)8-7-9-14-13/h5-9H,1-4H3/b10-5?,12-6-,13-11-
InChIKeyPKKGFCICDSTQCV-CVLXZFDBSA-N
MW187.29 g/mol
LogP2.02
Rot. Bonds1

About (2Z,3Z)-3-ethylidene-2-(3-methylpent-3-en-2-ylidene)pyridine

(2Z,3Z)-3-ethylidene-2-(3-methylpent-3-en-2-ylidene)pyridine (PubChem CID 134386433) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is (2Z,3Z)-3-ethylidene-2-(3-methylpent-3-en-2-ylidene)pyridine.

Molecular Properties

Compound Name(2Z,3Z)-3-ethylidene-2-(3-methylpent-3-en-2-ylidene)pyridine
PubChem CID134386433
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name(2Z,3Z)-3-ethylidene-2-(3-methylpent-3-en-2-ylidene)pyridine
SMILESCC=C(C)/C(C)=c1\nccc\c1=C\C
InChIInChI=1S/C13H17N/c1-5-10(3)11(4)13-12(6-2)8-7-9-14-13/h5-9H,1-4H3/b10-5?,12-6-,13-11-
InChIKeyPKKGFCICDSTQCV-CVLXZFDBSA-N
XLogP2.02
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2Z,3Z)-3-ethylidene-2-(3-methylpent-3-en-2-ylidene)pyridine?
The IUPAC name of (2Z,3Z)-3-ethylidene-2-(3-methylpent-3-en-2-ylidene)pyridine (CID 134386433) is (2Z,3Z)-3-ethylidene-2-(3-methylpent-3-en-2-ylidene)pyridine.
What is the SMILES notation for (2Z,3Z)-3-ethylidene-2-(3-methylpent-3-en-2-ylidene)pyridine?
The canonical SMILES for (2Z,3Z)-3-ethylidene-2-(3-methylpent-3-en-2-ylidene)pyridine is CC=C(C)/C(C)=c1\nccc\c1=C\C.
What is the InChIKey of (2Z,3Z)-3-ethylidene-2-(3-methylpent-3-en-2-ylidene)pyridine?
The InChIKey is PKKGFCICDSTQCV-CVLXZFDBSA-N. The full InChI is InChI=1S/C13H17N/c1-5-10(3)11(4)13-12(6-2)8-7-9-14-13/h5-9H,1-4H3/b10-5?,12-6-,13-11-.
What are the key properties of (2Z,3Z)-3-ethylidene-2-(3-methylpent-3-en-2-ylidene)pyridine?
(2Z,3Z)-3-ethylidene-2-(3-methylpent-3-en-2-ylidene)pyridine has a molecular weight of 187.29 g/mol, XLogP of 2.02, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,3Z)-3-ethylidene-2-(3-methylpent-3-en-2-ylidene)pyridine is sourced from PubChem (CID 134386433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).