(Z)-3-methylimino-N-propan-2-ylhept-4-enamide

C11H20N2O — CID 154677754

IUPAC(Z)-3-methylimino-N-propan-2-ylhept-4-enamide
SMILESCC/C=C\C(CC(=O)NC(C)C)=N/C
InChIInChI=1S/C11H20N2O/c1-5-6-7-10(12-4)8-11(14)13-9(2)3/h6-7,9H,5,8H2,1-4H3,(H,13,14)/b7-6-,12-10+
InChIKeyJSUATTVCUKSQSS-WTVYDBEASA-N
MW196.29 g/mol
LogP1.94
Rot. Bonds5

About (Z)-3-methylimino-N-propan-2-ylhept-4-enamide

(Z)-3-methylimino-N-propan-2-ylhept-4-enamide (PubChem CID 154677754) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is (Z)-3-methylimino-N-propan-2-ylhept-4-enamide.

Molecular Properties

Compound Name(Z)-3-methylimino-N-propan-2-ylhept-4-enamide
PubChem CID154677754
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name(Z)-3-methylimino-N-propan-2-ylhept-4-enamide
SMILESCC/C=C\C(CC(=O)NC(C)C)=N/C
InChIInChI=1S/C11H20N2O/c1-5-6-7-10(12-4)8-11(14)13-9(2)3/h6-7,9H,5,8H2,1-4H3,(H,13,14)/b7-6-,12-10+
InChIKeyJSUATTVCUKSQSS-WTVYDBEASA-N
XLogP1.94
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-methylimino-N-propan-2-ylhept-4-enamide?
The IUPAC name of (Z)-3-methylimino-N-propan-2-ylhept-4-enamide (CID 154677754) is (Z)-3-methylimino-N-propan-2-ylhept-4-enamide.
What is the SMILES notation for (Z)-3-methylimino-N-propan-2-ylhept-4-enamide?
The canonical SMILES for (Z)-3-methylimino-N-propan-2-ylhept-4-enamide is CC/C=C\C(CC(=O)NC(C)C)=N/C.
What is the InChIKey of (Z)-3-methylimino-N-propan-2-ylhept-4-enamide?
The InChIKey is JSUATTVCUKSQSS-WTVYDBEASA-N. The full InChI is InChI=1S/C11H20N2O/c1-5-6-7-10(12-4)8-11(14)13-9(2)3/h6-7,9H,5,8H2,1-4H3,(H,13,14)/b7-6-,12-10+.
What are the key properties of (Z)-3-methylimino-N-propan-2-ylhept-4-enamide?
(Z)-3-methylimino-N-propan-2-ylhept-4-enamide has a molecular weight of 196.29 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-methylimino-N-propan-2-ylhept-4-enamide is sourced from PubChem (CID 154677754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).