(2Z)-N-formyl-2-(methylaminomethylidene)butanamide

C7H12N2O2 — CID 154939829

IUPAC(2Z)-N-formyl-2-(methylaminomethylidene)butanamide
SMILESCC/C(=C/NC)C(=O)NC=O
InChIInChI=1S/C7H12N2O2/c1-3-6(4-8-2)7(11)9-5-10/h4-5,8H,3H2,1-2H3,(H,9,10,11)/b6-4-
InChIKeyBHLPUTGGIRQLFV-XQRVVYSFSA-N
MW156.19 g/mol
LogP-0.23
Rot. Bonds4

About (2Z)-N-formyl-2-(methylaminomethylidene)butanamide

(2Z)-N-formyl-2-(methylaminomethylidene)butanamide (PubChem CID 154939829) has the molecular formula C7H12N2O2 and a molecular weight of 156.19 g/mol. Its IUPAC name is (2Z)-N-formyl-2-(methylaminomethylidene)butanamide.

Molecular Properties

Compound Name(2Z)-N-formyl-2-(methylaminomethylidene)butanamide
PubChem CID154939829
Molecular FormulaC7H12N2O2
Molecular Weight156.19 g/mol
Exact Mass156.09
IUPAC Name(2Z)-N-formyl-2-(methylaminomethylidene)butanamide
SMILESCC/C(=C/NC)C(=O)NC=O
InChIInChI=1S/C7H12N2O2/c1-3-6(4-8-2)7(11)9-5-10/h4-5,8H,3H2,1-2H3,(H,9,10,11)/b6-4-
InChIKeyBHLPUTGGIRQLFV-XQRVVYSFSA-N
XLogP-0.23
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2Z)-N-formyl-2-(methylaminomethylidene)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(7Z)-7-(methylaminomethylidene)nonane-2,6-dione
CID 166959865
(Z)-2-ethyl-N-methylpent-2-enamide
CID 177053955
carbonic acid;N-methylformamide
CID 159780835
N-[(Z)-C-ethyl-N-(methylamino)carbonimidoyl]formamide
CID 142187150
N-formyloctadecanamide
CID 54418147
ethane;N-formyl-2,3-dimethylbut-2-enamide
CID 142271872
N-formylprop-2-enamide;N-methylformamide
CID 159760738
ethane;N-methyl-2-oxobutanamide
CID 143884065
ethane;N-methylformamide;octane
CID 164590964
ethyl 3,3-diformamido-2-methylprop-2-enoate
CID 87660528
ethane;methane;N-methoxymethanamine;N-methylformamide;propanamide
CID 162147602
methane;bis(N-methylformamide);propanal
CID 158729110

Frequently Asked Questions

What is the IUPAC name of (2Z)-N-formyl-2-(methylaminomethylidene)butanamide?
The IUPAC name of (2Z)-N-formyl-2-(methylaminomethylidene)butanamide (CID 154939829) is (2Z)-N-formyl-2-(methylaminomethylidene)butanamide.
What is the SMILES notation for (2Z)-N-formyl-2-(methylaminomethylidene)butanamide?
The canonical SMILES for (2Z)-N-formyl-2-(methylaminomethylidene)butanamide is CC/C(=C/NC)C(=O)NC=O.
What is the InChIKey of (2Z)-N-formyl-2-(methylaminomethylidene)butanamide?
The InChIKey is BHLPUTGGIRQLFV-XQRVVYSFSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-3-6(4-8-2)7(11)9-5-10/h4-5,8H,3H2,1-2H3,(H,9,10,11)/b6-4-.
What are the key properties of (2Z)-N-formyl-2-(methylaminomethylidene)butanamide?
(2Z)-N-formyl-2-(methylaminomethylidene)butanamide has a molecular weight of 156.19 g/mol, XLogP of -0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-formyl-2-(methylaminomethylidene)butanamide is sourced from PubChem (CID 154939829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).