(Z)-3-[(Z)-3-hydroxyprop-1-enyl]hex-3-enenitrile

C9H13NO — CID 143895043

IUPAC(Z)-3-[(Z)-3-hydroxyprop-1-enyl]hex-3-enenitrile
SMILESCC/C=C(\C=C/CO)CC#N
InChIInChI=1S/C9H13NO/c1-2-4-9(6-7-10)5-3-8-11/h3-5,11H,2,6,8H2,1H3/b5-3-,9-4+
InChIKeyKOISQYIPNKNKNX-LWUTYWFWSA-N
MW151.21 g/mol
LogP1.78
Rot. Bonds4

About (Z)-3-[(Z)-3-hydroxyprop-1-enyl]hex-3-enenitrile

(Z)-3-[(Z)-3-hydroxyprop-1-enyl]hex-3-enenitrile (PubChem CID 143895043) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is (Z)-3-[(Z)-3-hydroxyprop-1-enyl]hex-3-enenitrile.

Molecular Properties

Compound Name(Z)-3-[(Z)-3-hydroxyprop-1-enyl]hex-3-enenitrile
PubChem CID143895043
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name(Z)-3-[(Z)-3-hydroxyprop-1-enyl]hex-3-enenitrile
SMILESCC/C=C(\C=C/CO)CC#N
InChIInChI=1S/C9H13NO/c1-2-4-9(6-7-10)5-3-8-11/h3-5,11H,2,6,8H2,1H3/b5-3-,9-4+
InChIKeyKOISQYIPNKNKNX-LWUTYWFWSA-N
XLogP1.78
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-[(Z)-3-hydroxyprop-1-enyl]hex-3-enenitrile?
The IUPAC name of (Z)-3-[(Z)-3-hydroxyprop-1-enyl]hex-3-enenitrile (CID 143895043) is (Z)-3-[(Z)-3-hydroxyprop-1-enyl]hex-3-enenitrile.
What is the SMILES notation for (Z)-3-[(Z)-3-hydroxyprop-1-enyl]hex-3-enenitrile?
The canonical SMILES for (Z)-3-[(Z)-3-hydroxyprop-1-enyl]hex-3-enenitrile is CC/C=C(\C=C/CO)CC#N.
What is the InChIKey of (Z)-3-[(Z)-3-hydroxyprop-1-enyl]hex-3-enenitrile?
The InChIKey is KOISQYIPNKNKNX-LWUTYWFWSA-N. The full InChI is InChI=1S/C9H13NO/c1-2-4-9(6-7-10)5-3-8-11/h3-5,11H,2,6,8H2,1H3/b5-3-,9-4+.
What are the key properties of (Z)-3-[(Z)-3-hydroxyprop-1-enyl]hex-3-enenitrile?
(Z)-3-[(Z)-3-hydroxyprop-1-enyl]hex-3-enenitrile has a molecular weight of 151.21 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[(Z)-3-hydroxyprop-1-enyl]hex-3-enenitrile is sourced from PubChem (CID 143895043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).