(Z)-4-ethenyl-N-methyl-6-methyliminohex-4-enamide

C10H16N2O — CID 130178006

IUPAC(Z)-4-ethenyl-N-methyl-6-methyliminohex-4-enamide
SMILESC=C/C(=C\C=N\C)CCC(=O)NC
InChIInChI=1S/C10H16N2O/c1-4-9(7-8-11-2)5-6-10(13)12-3/h4,7-8H,1,5-6H2,2-3H3,(H,12,13)/b9-7+,11-8+
InChIKeyCDBPCDPBAHLNQZ-BIZFVBGRSA-N
MW180.25 g/mol
LogP1.33
Rot. Bonds5

About (Z)-4-ethenyl-N-methyl-6-methyliminohex-4-enamide

(Z)-4-ethenyl-N-methyl-6-methyliminohex-4-enamide (PubChem CID 130178006) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is (Z)-4-ethenyl-N-methyl-6-methyliminohex-4-enamide.

Molecular Properties

Compound Name(Z)-4-ethenyl-N-methyl-6-methyliminohex-4-enamide
PubChem CID130178006
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name(Z)-4-ethenyl-N-methyl-6-methyliminohex-4-enamide
SMILESC=C/C(=C\C=N\C)CCC(=O)NC
InChIInChI=1S/C10H16N2O/c1-4-9(7-8-11-2)5-6-10(13)12-3/h4,7-8H,1,5-6H2,2-3H3,(H,12,13)/b9-7+,11-8+
InChIKeyCDBPCDPBAHLNQZ-BIZFVBGRSA-N
XLogP1.33
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-ethenyl-N-methyl-6-methyliminohex-4-enamide?
The IUPAC name of (Z)-4-ethenyl-N-methyl-6-methyliminohex-4-enamide (CID 130178006) is (Z)-4-ethenyl-N-methyl-6-methyliminohex-4-enamide.
What is the SMILES notation for (Z)-4-ethenyl-N-methyl-6-methyliminohex-4-enamide?
The canonical SMILES for (Z)-4-ethenyl-N-methyl-6-methyliminohex-4-enamide is C=C/C(=C\C=N\C)CCC(=O)NC.
What is the InChIKey of (Z)-4-ethenyl-N-methyl-6-methyliminohex-4-enamide?
The InChIKey is CDBPCDPBAHLNQZ-BIZFVBGRSA-N. The full InChI is InChI=1S/C10H16N2O/c1-4-9(7-8-11-2)5-6-10(13)12-3/h4,7-8H,1,5-6H2,2-3H3,(H,12,13)/b9-7+,11-8+.
What are the key properties of (Z)-4-ethenyl-N-methyl-6-methyliminohex-4-enamide?
(Z)-4-ethenyl-N-methyl-6-methyliminohex-4-enamide has a molecular weight of 180.25 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-ethenyl-N-methyl-6-methyliminohex-4-enamide is sourced from PubChem (CID 130178006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).