1-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]cyclopentane-1-carbonitrile

C14H19N — CID 145495414

IUPAC1-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]cyclopentane-1-carbonitrile
SMILESC/C=C\C=C(/C=C\C)C1(C#N)CCCC1
InChIInChI=1S/C14H19N/c1-3-5-9-13(8-4-2)14(12-15)10-6-7-11-14/h3-5,8-9H,6-7,10-11H2,1-2H3/b5-3-,8-4-,13-9+
InChIKeyFURIPWDBJJELCS-MDTGDZRUSA-N
MW201.31 g/mol
LogP4.15
Rot. Bonds3

About 1-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]cyclopentane-1-carbonitrile

1-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]cyclopentane-1-carbonitrile (PubChem CID 145495414) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is 1-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]cyclopentane-1-carbonitrile
PubChem CID145495414
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name1-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]cyclopentane-1-carbonitrile
SMILESC/C=C\C=C(/C=C\C)C1(C#N)CCCC1
InChIInChI=1S/C14H19N/c1-3-5-9-13(8-4-2)14(12-15)10-6-7-11-14/h3-5,8-9H,6-7,10-11H2,1-2H3/b5-3-,8-4-,13-9+
InChIKeyFURIPWDBJJELCS-MDTGDZRUSA-N
XLogP4.15
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]cyclopentane-1-carbonitrile?
The IUPAC name of 1-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]cyclopentane-1-carbonitrile (CID 145495414) is 1-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]cyclopentane-1-carbonitrile?
The canonical SMILES for 1-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]cyclopentane-1-carbonitrile is C/C=C\C=C(/C=C\C)C1(C#N)CCCC1.
What is the InChIKey of 1-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]cyclopentane-1-carbonitrile?
The InChIKey is FURIPWDBJJELCS-MDTGDZRUSA-N. The full InChI is InChI=1S/C14H19N/c1-3-5-9-13(8-4-2)14(12-15)10-6-7-11-14/h3-5,8-9H,6-7,10-11H2,1-2H3/b5-3-,8-4-,13-9+.
What are the key properties of 1-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]cyclopentane-1-carbonitrile?
1-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]cyclopentane-1-carbonitrile has a molecular weight of 201.31 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]cyclopentane-1-carbonitrile is sourced from PubChem (CID 145495414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).