2-cyano-5-methoxy-N,N-dimethylpenta-2,4-dienamide

C9H12N2O2 — CID 54524751

IUPAC2-cyano-5-methoxy-N,N-dimethylpenta-2,4-dienamide
SMILESCOC=CC=C(C#N)C(=O)N(C)C
InChIInChI=1S/C9H12N2O2/c1-11(2)9(12)8(7-10)5-4-6-13-3/h4-6H,1-3H3
InChIKeyYSIRNMUMCNTDCP-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.68
Rot. Bonds3

About 2-cyano-5-methoxy-N,N-dimethylpenta-2,4-dienamide

2-cyano-5-methoxy-N,N-dimethylpenta-2,4-dienamide (PubChem CID 54524751) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 2-cyano-5-methoxy-N,N-dimethylpenta-2,4-dienamide.

Molecular Properties

Compound Name2-cyano-5-methoxy-N,N-dimethylpenta-2,4-dienamide
PubChem CID54524751
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name2-cyano-5-methoxy-N,N-dimethylpenta-2,4-dienamide
SMILESCOC=CC=C(C#N)C(=O)N(C)C
InChIInChI=1S/C9H12N2O2/c1-11(2)9(12)8(7-10)5-4-6-13-3/h4-6H,1-3H3
InChIKeyYSIRNMUMCNTDCP-UHFFFAOYSA-N
XLogP0.68
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(Z)-2-cyano-3-(4-methoxyphenyl)-N,N-dimethylprop-2-enamide
CID 5375025
3-(dimethylamino)-2,3-dioxopropanoyl cyanide
CID 18719618
2-acetyl-5-(dimethylamino)penta-2,4-dienenitrile
CID 123475271
2-cyano-N,N-dimethyl-3-phenylprop-2-enamide
CID 71357997
(E)-2-cyano-N,N-dimethyl-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
CID 102471104
methyl (E)-2-cyano-3-(dimethylamino)prop-2-enoate
CID 2732123
methyl (Z)-2-cyano-3-(dimethylamino)prop-2-enoate
CID 6925004
methyl (Z)-3-amino-2-cyanoprop-2-enoate
CID 102484280
(2E,4E)-5-(dimethylamino)-2-(2,2,2-trifluoroacetyl)penta-2,4-dienenitrile
CID 75487701
(E)-2-cyano-N,N-dimethyl-3-(4-phenylphenyl)prop-2-enamide
CID 132546388
methyl (2E,4E)-2-cyano-5-[4-(dimethylamino)phenyl]penta-2,4-dienoate
CID 20823475
(E,4Z)-2-isocyano-4-[(E)-3-methoxyprop-2-enylidene]-3-phenylpent-2-enedinitrile
CID 22095583

Frequently Asked Questions

What is the IUPAC name of 2-cyano-5-methoxy-N,N-dimethylpenta-2,4-dienamide?
The IUPAC name of 2-cyano-5-methoxy-N,N-dimethylpenta-2,4-dienamide (CID 54524751) is 2-cyano-5-methoxy-N,N-dimethylpenta-2,4-dienamide.
What is the SMILES notation for 2-cyano-5-methoxy-N,N-dimethylpenta-2,4-dienamide?
The canonical SMILES for 2-cyano-5-methoxy-N,N-dimethylpenta-2,4-dienamide is COC=CC=C(C#N)C(=O)N(C)C.
What is the InChIKey of 2-cyano-5-methoxy-N,N-dimethylpenta-2,4-dienamide?
The InChIKey is YSIRNMUMCNTDCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-11(2)9(12)8(7-10)5-4-6-13-3/h4-6H,1-3H3.
What are the key properties of 2-cyano-5-methoxy-N,N-dimethylpenta-2,4-dienamide?
2-cyano-5-methoxy-N,N-dimethylpenta-2,4-dienamide has a molecular weight of 180.21 g/mol, XLogP of 0.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-5-methoxy-N,N-dimethylpenta-2,4-dienamide is sourced from PubChem (CID 54524751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).