N-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]acetamide

C7H12N2O — CID 142272541

IUPACN-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]acetamide
SMILESC/C=C\C(=N/C)NC(C)=O
InChIInChI=1S/C7H12N2O/c1-4-5-7(8-3)9-6(2)10/h4-5H,1-3H3,(H,8,9,10)/b5-4-
InChIKeyZWANZRUQVFKALY-PLNGDYQASA-N
MW140.19 g/mol
LogP0.73
Rot. Bonds1

About N-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]acetamide

N-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]acetamide (PubChem CID 142272541) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is N-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]acetamide.

Molecular Properties

Compound NameN-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]acetamide
PubChem CID142272541
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC NameN-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]acetamide
SMILESC/C=C\C(=N/C)NC(C)=O
InChIInChI=1S/C7H12N2O/c1-4-5-7(8-3)9-6(2)10/h4-5H,1-3H3,(H,8,9,10)/b5-4-
InChIKeyZWANZRUQVFKALY-PLNGDYQASA-N
XLogP0.73
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]acetamide?
The IUPAC name of N-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]acetamide (CID 142272541) is N-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]acetamide.
What is the SMILES notation for N-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]acetamide?
The canonical SMILES for N-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]acetamide is C/C=C\C(=N/C)NC(C)=O.
What is the InChIKey of N-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]acetamide?
The InChIKey is ZWANZRUQVFKALY-PLNGDYQASA-N. The full InChI is InChI=1S/C7H12N2O/c1-4-5-7(8-3)9-6(2)10/h4-5H,1-3H3,(H,8,9,10)/b5-4-.
What are the key properties of N-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]acetamide?
N-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]acetamide has a molecular weight of 140.19 g/mol, XLogP of 0.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]acetamide is sourced from PubChem (CID 142272541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).