(Z)-2-cyano-N,N-dimethylhex-2-enamide

C9H14N2O — CID 90225872

IUPAC(Z)-2-cyano-N,N-dimethylhex-2-enamide
SMILESCCC/C=C(/C#N)C(=O)N(C)C
InChIInChI=1S/C9H14N2O/c1-4-5-6-8(7-10)9(12)11(2)3/h6H,4-5H2,1-3H3/b8-6-
InChIKeyQDHLQVOJCUMVQB-VURMDHGXSA-N
MW166.22 g/mol
LogP1.32
Rot. Bonds3

About (Z)-2-cyano-N,N-dimethylhex-2-enamide

(Z)-2-cyano-N,N-dimethylhex-2-enamide (PubChem CID 90225872) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is (Z)-2-cyano-N,N-dimethylhex-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N,N-dimethylhex-2-enamide
PubChem CID90225872
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name(Z)-2-cyano-N,N-dimethylhex-2-enamide
SMILESCCC/C=C(/C#N)C(=O)N(C)C
InChIInChI=1S/C9H14N2O/c1-4-5-6-8(7-10)9(12)11(2)3/h6H,4-5H2,1-3H3/b8-6-
InChIKeyQDHLQVOJCUMVQB-VURMDHGXSA-N
XLogP1.32
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N,N-dimethylhex-2-enamide?
The IUPAC name of (Z)-2-cyano-N,N-dimethylhex-2-enamide (CID 90225872) is (Z)-2-cyano-N,N-dimethylhex-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N,N-dimethylhex-2-enamide?
The canonical SMILES for (Z)-2-cyano-N,N-dimethylhex-2-enamide is CCC/C=C(/C#N)C(=O)N(C)C.
What is the InChIKey of (Z)-2-cyano-N,N-dimethylhex-2-enamide?
The InChIKey is QDHLQVOJCUMVQB-VURMDHGXSA-N. The full InChI is InChI=1S/C9H14N2O/c1-4-5-6-8(7-10)9(12)11(2)3/h6H,4-5H2,1-3H3/b8-6-.
What are the key properties of (Z)-2-cyano-N,N-dimethylhex-2-enamide?
(Z)-2-cyano-N,N-dimethylhex-2-enamide has a molecular weight of 166.22 g/mol, XLogP of 1.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-N,N-dimethylhex-2-enamide is sourced from PubChem (CID 90225872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).