(Z)-N,2-dimethyl-4-(methylideneamino)but-3-enamide

C7H12N2O — CID 90245910

IUPAC(Z)-N,2-dimethyl-4-(methylideneamino)but-3-enamide
SMILESC=N/C=C\C(C)C(=O)NC
InChIInChI=1S/C7H12N2O/c1-6(4-5-8-2)7(10)9-3/h4-6H,2H2,1,3H3,(H,9,10)/b5-4-
InChIKeySFJVMOQIHLBCPU-PLNGDYQASA-N
MW140.19 g/mol
LogP0.58
Rot. Bonds3

About (Z)-N,2-dimethyl-4-(methylideneamino)but-3-enamide

(Z)-N,2-dimethyl-4-(methylideneamino)but-3-enamide (PubChem CID 90245910) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is (Z)-N,2-dimethyl-4-(methylideneamino)but-3-enamide.

Molecular Properties

Compound Name(Z)-N,2-dimethyl-4-(methylideneamino)but-3-enamide
PubChem CID90245910
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name(Z)-N,2-dimethyl-4-(methylideneamino)but-3-enamide
SMILESC=N/C=C\C(C)C(=O)NC
InChIInChI=1S/C7H12N2O/c1-6(4-5-8-2)7(10)9-3/h4-6H,2H2,1,3H3,(H,9,10)/b5-4-
InChIKeySFJVMOQIHLBCPU-PLNGDYQASA-N
XLogP0.58
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.58
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)-N,2-dimethyl-4-(methylideneamino)but-3-enamide?
The IUPAC name of (Z)-N,2-dimethyl-4-(methylideneamino)but-3-enamide (CID 90245910) is (Z)-N,2-dimethyl-4-(methylideneamino)but-3-enamide.
What is the SMILES notation for (Z)-N,2-dimethyl-4-(methylideneamino)but-3-enamide?
The canonical SMILES for (Z)-N,2-dimethyl-4-(methylideneamino)but-3-enamide is C=N/C=C\C(C)C(=O)NC.
What is the InChIKey of (Z)-N,2-dimethyl-4-(methylideneamino)but-3-enamide?
The InChIKey is SFJVMOQIHLBCPU-PLNGDYQASA-N. The full InChI is InChI=1S/C7H12N2O/c1-6(4-5-8-2)7(10)9-3/h4-6H,2H2,1,3H3,(H,9,10)/b5-4-.
What are the key properties of (Z)-N,2-dimethyl-4-(methylideneamino)but-3-enamide?
(Z)-N,2-dimethyl-4-(methylideneamino)but-3-enamide has a molecular weight of 140.19 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,2-dimethyl-4-(methylideneamino)but-3-enamide is sourced from PubChem (CID 90245910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).