(Z)-N-methyl-2-methylidene-5-methyliminohex-3-enamide

C9H14N2O — CID 162732474

IUPAC(Z)-N-methyl-2-methylidene-5-methyliminohex-3-enamide
SMILESC=C(/C=C\C(C)=N\C)C(=O)NC
InChIInChI=1S/C9H14N2O/c1-7(9(12)11-4)5-6-8(2)10-3/h5-6H,1H2,2-4H3,(H,11,12)/b6-5-,10-8+
InChIKeyCHFMABQOHCZZRJ-UGXDAERVSA-N
MW166.22 g/mol
LogP0.94
Rot. Bonds3

About (Z)-N-methyl-2-methylidene-5-methyliminohex-3-enamide

(Z)-N-methyl-2-methylidene-5-methyliminohex-3-enamide (PubChem CID 162732474) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is (Z)-N-methyl-2-methylidene-5-methyliminohex-3-enamide.

Molecular Properties

Compound Name(Z)-N-methyl-2-methylidene-5-methyliminohex-3-enamide
PubChem CID162732474
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name(Z)-N-methyl-2-methylidene-5-methyliminohex-3-enamide
SMILESC=C(/C=C\C(C)=N\C)C(=O)NC
InChIInChI=1S/C9H14N2O/c1-7(9(12)11-4)5-6-8(2)10-3/h5-6H,1H2,2-4H3,(H,11,12)/b6-5-,10-8+
InChIKeyCHFMABQOHCZZRJ-UGXDAERVSA-N
XLogP0.94
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-methyl-2-methylidenepent-3-enamide
CID 123693857
(3Z,5E)-N-methyl-2-methylidene-5-(trifluoromethyl)hepta-3,5-dienamide
CID 162732262
N,2-dimethylprop-2-enamide;ethane
CID 142291054
(2Z,4E)-N-methyl-6-methyliminohepta-2,4-dien-2-amine
CID 131965537
formaldehyde;N-methylacetamide
CID 159490973
N,N'-di((113C)methyl)oxamide
CID 169438737
(E)-N,2-dimethyl-4-prop-1-en-2-yliminobut-2-enamide
CID 145305765
(3Z)-N-formyl-5,6-dimethyl-2-methylidenehepta-3,5-dienamide
CID 142170596
2,9-dimethyl-5,6-dimethylidenedeca-1,3,7,9-tetraene
CID 123828527
(2E)-2-ethenyl-N,4-dimethylpenta-2,4-dienamide
CID 142527860
ethane;(Z)-3-methyliminobut-1-en-1-amine
CID 143155642
acetic acid;N,N'-dimethylethanimidamide
CID 162316953

Frequently Asked Questions

What is the IUPAC name of (Z)-N-methyl-2-methylidene-5-methyliminohex-3-enamide?
The IUPAC name of (Z)-N-methyl-2-methylidene-5-methyliminohex-3-enamide (CID 162732474) is (Z)-N-methyl-2-methylidene-5-methyliminohex-3-enamide.
What is the SMILES notation for (Z)-N-methyl-2-methylidene-5-methyliminohex-3-enamide?
The canonical SMILES for (Z)-N-methyl-2-methylidene-5-methyliminohex-3-enamide is C=C(/C=C\C(C)=N\C)C(=O)NC.
What is the InChIKey of (Z)-N-methyl-2-methylidene-5-methyliminohex-3-enamide?
The InChIKey is CHFMABQOHCZZRJ-UGXDAERVSA-N. The full InChI is InChI=1S/C9H14N2O/c1-7(9(12)11-4)5-6-8(2)10-3/h5-6H,1H2,2-4H3,(H,11,12)/b6-5-,10-8+.
What are the key properties of (Z)-N-methyl-2-methylidene-5-methyliminohex-3-enamide?
(Z)-N-methyl-2-methylidene-5-methyliminohex-3-enamide has a molecular weight of 166.22 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-methyl-2-methylidene-5-methyliminohex-3-enamide is sourced from PubChem (CID 162732474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).