(E)-undec-2-enenitrile

C11H19N — CID 6538104

IUPAC(E)-undec-2-enenitrile
SMILESCCCCCCCC/C=C/C#N
InChIInChI=1S/C11H19N/c1-2-3-4-5-6-7-8-9-10-11-12/h9-10H,2-8H2,1H3/b10-9+
InChIKeyHETFMJQWNWIBPN-MDZDMXLPSA-N
MW165.28 g/mol
LogP3.82
Rot. Bonds7

About (E)-undec-2-enenitrile

(E)-undec-2-enenitrile (PubChem CID 6538104) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is (E)-undec-2-enenitrile.

Molecular Properties

Compound Name(E)-undec-2-enenitrile
PubChem CID6538104
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name(E)-undec-2-enenitrile
SMILESCCCCCCCC/C=C/C#N
InChIInChI=1S/C11H19N/c1-2-3-4-5-6-7-8-9-10-11-12/h9-10H,2-8H2,1H3/b10-9+
InChIKeyHETFMJQWNWIBPN-MDZDMXLPSA-N
XLogP3.82
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2E,6E)-trideca-2,6-dienenitrile
CID 129206622
(2E,8E)-tetradeca-2,8-dienenitrile
CID 129206648
dodeca-2,6-dienenitrile
CID 140790991
(2E,11E)-tetradeca-2,11-dienenitrile
CID 129206569
(2E,12E)-pentadeca-2,12-dienenitrile
CID 129206636
(2E,9E)-dodeca-2,9-dienenitrile
CID 129206615
(2E,4Z,6Z)-octadeca-2,4,6-trienenitrile
CID 21158547
(2E,8Z)-undeca-2,8-dienenitrile
CID 129206614
(2E,8E)-deca-2,8-dienenitrile
CID 129206584
(Z)-heptacos-11-ene
CID 56936074
nonacos-7-ene
CID 71381021
(Z)-triacont-9-ene
CID 57484178

Frequently Asked Questions

What is the IUPAC name of (E)-undec-2-enenitrile?
The IUPAC name of (E)-undec-2-enenitrile (CID 6538104) is (E)-undec-2-enenitrile.
What is the SMILES notation for (E)-undec-2-enenitrile?
The canonical SMILES for (E)-undec-2-enenitrile is CCCCCCCC/C=C/C#N.
What is the InChIKey of (E)-undec-2-enenitrile?
The InChIKey is HETFMJQWNWIBPN-MDZDMXLPSA-N. The full InChI is InChI=1S/C11H19N/c1-2-3-4-5-6-7-8-9-10-11-12/h9-10H,2-8H2,1H3/b10-9+.
What are the key properties of (E)-undec-2-enenitrile?
(E)-undec-2-enenitrile has a molecular weight of 165.28 g/mol, XLogP of 3.82, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-undec-2-enenitrile is sourced from PubChem (CID 6538104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).