(2Z,3E)-2,3-bis(4,4-dimethylpent-1-en-3-ylidene)pyridine

C19H27N — CID 146522821

IUPAC(2Z,3E)-2,3-bis(4,4-dimethylpent-1-en-3-ylidene)pyridine
SMILESC=C/C(=c1/nccc/c1=C(/C=C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C19H27N/c1-9-15(18(3,4)5)14-12-11-13-20-17(14)16(10-2)19(6,7)8/h9-13H,1-2H2,3-8H3/b15-14+,17-16-
InChIKeySOZLSOYAQRRTHA-FZIQOSRTSA-N
MW269.43 g/mol
LogP3.85
Rot. Bonds2

About (2Z,3E)-2,3-bis(4,4-dimethylpent-1-en-3-ylidene)pyridine

(2Z,3E)-2,3-bis(4,4-dimethylpent-1-en-3-ylidene)pyridine (PubChem CID 146522821) has the molecular formula C19H27N and a molecular weight of 269.43 g/mol. Its IUPAC name is (2Z,3E)-2,3-bis(4,4-dimethylpent-1-en-3-ylidene)pyridine.

Molecular Properties

Compound Name(2Z,3E)-2,3-bis(4,4-dimethylpent-1-en-3-ylidene)pyridine
PubChem CID146522821
Molecular FormulaC19H27N
Molecular Weight269.43 g/mol
Exact Mass269.21
IUPAC Name(2Z,3E)-2,3-bis(4,4-dimethylpent-1-en-3-ylidene)pyridine
SMILESC=C/C(=c1/nccc/c1=C(/C=C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C19H27N/c1-9-15(18(3,4)5)14-12-11-13-20-17(14)16(10-2)19(6,7)8/h9-13H,1-2H2,3-8H3/b15-14+,17-16-
InChIKeySOZLSOYAQRRTHA-FZIQOSRTSA-N
XLogP3.85
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2Z,3E)-2,3-bis(4,4-dimethylpent-1-en-3-ylidene)pyridine?
The IUPAC name of (2Z,3E)-2,3-bis(4,4-dimethylpent-1-en-3-ylidene)pyridine (CID 146522821) is (2Z,3E)-2,3-bis(4,4-dimethylpent-1-en-3-ylidene)pyridine.
What is the SMILES notation for (2Z,3E)-2,3-bis(4,4-dimethylpent-1-en-3-ylidene)pyridine?
The canonical SMILES for (2Z,3E)-2,3-bis(4,4-dimethylpent-1-en-3-ylidene)pyridine is C=C/C(=c1/nccc/c1=C(/C=C)C(C)(C)C)C(C)(C)C.
What is the InChIKey of (2Z,3E)-2,3-bis(4,4-dimethylpent-1-en-3-ylidene)pyridine?
The InChIKey is SOZLSOYAQRRTHA-FZIQOSRTSA-N. The full InChI is InChI=1S/C19H27N/c1-9-15(18(3,4)5)14-12-11-13-20-17(14)16(10-2)19(6,7)8/h9-13H,1-2H2,3-8H3/b15-14+,17-16-.
What are the key properties of (2Z,3E)-2,3-bis(4,4-dimethylpent-1-en-3-ylidene)pyridine?
(2Z,3E)-2,3-bis(4,4-dimethylpent-1-en-3-ylidene)pyridine has a molecular weight of 269.43 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,3E)-2,3-bis(4,4-dimethylpent-1-en-3-ylidene)pyridine is sourced from PubChem (CID 146522821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).