(E)-4-oxododec-5-enenitrile

C12H19NO — CID 134986409

IUPAC(E)-4-oxododec-5-enenitrile
SMILESCCCCCC/C=C/C(=O)CCC#N
InChIInChI=1S/C12H19NO/c1-2-3-4-5-6-7-9-12(14)10-8-11-13/h7,9H,2-6,8,10H2,1H3/b9-7+
InChIKeyDRWVEMKHGWPYID-VQHVLOKHSA-N
MW193.29 g/mol
LogP3.39
Rot. Bonds8

About (E)-4-oxododec-5-enenitrile

(E)-4-oxododec-5-enenitrile (PubChem CID 134986409) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is (E)-4-oxododec-5-enenitrile.

Molecular Properties

Compound Name(E)-4-oxododec-5-enenitrile
PubChem CID134986409
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name(E)-4-oxododec-5-enenitrile
SMILESCCCCCC/C=C/C(=O)CCC#N
InChIInChI=1S/C12H19NO/c1-2-3-4-5-6-7-9-12(14)10-8-11-13/h7,9H,2-6,8,10H2,1H3/b9-7+
InChIKeyDRWVEMKHGWPYID-VQHVLOKHSA-N
XLogP3.39
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-4-oxododec-5-enenitrile?
The IUPAC name of (E)-4-oxododec-5-enenitrile (CID 134986409) is (E)-4-oxododec-5-enenitrile.
What is the SMILES notation for (E)-4-oxododec-5-enenitrile?
The canonical SMILES for (E)-4-oxododec-5-enenitrile is CCCCCC/C=C/C(=O)CCC#N.
What is the InChIKey of (E)-4-oxododec-5-enenitrile?
The InChIKey is DRWVEMKHGWPYID-VQHVLOKHSA-N. The full InChI is InChI=1S/C12H19NO/c1-2-3-4-5-6-7-9-12(14)10-8-11-13/h7,9H,2-6,8,10H2,1H3/b9-7+.
What are the key properties of (E)-4-oxododec-5-enenitrile?
(E)-4-oxododec-5-enenitrile has a molecular weight of 193.29 g/mol, XLogP of 3.39, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-oxododec-5-enenitrile is sourced from PubChem (CID 134986409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).