N-carbamoyl-3-imino-2-methylpropanamide

C5H9N3O2 — CID 91173470

IUPACN-carbamoyl-3-imino-2-methylpropanamide
SMILES[H]/N=C/C(C)C(=O)NC(N)=O
InChIInChI=1S/C5H9N3O2/c1-3(2-6)4(9)8-5(7)10/h2-3,6H,1H3,(H3,7,8,9,10)/b6-2+
InChIKeyVFLIEJKRKHQGIH-QHHAFSJGSA-N
MW143.15 g/mol
LogP-0.53
Rot. Bonds2

About N-carbamoyl-3-imino-2-methylpropanamide

N-carbamoyl-3-imino-2-methylpropanamide (PubChem CID 91173470) has the molecular formula C5H9N3O2 and a molecular weight of 143.15 g/mol. Its IUPAC name is N-carbamoyl-3-imino-2-methylpropanamide.

Molecular Properties

Compound NameN-carbamoyl-3-imino-2-methylpropanamide
PubChem CID91173470
Molecular FormulaC5H9N3O2
Molecular Weight143.15 g/mol
Exact Mass143.07
IUPAC NameN-carbamoyl-3-imino-2-methylpropanamide
SMILES[H]/N=C/C(C)C(=O)NC(N)=O
InChIInChI=1S/C5H9N3O2/c1-3(2-6)4(9)8-5(7)10/h2-3,6H,1H3,(H3,7,8,9,10)/b6-2+
InChIKeyVFLIEJKRKHQGIH-QHHAFSJGSA-N
XLogP-0.53
TPSA96.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.15
LogP ≤ 5-0.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 N-carbamoyl-3-imino-2-methylpropanamide?
The IUPAC name of N-carbamoyl-3-imino-2-methylpropanamide (CID 91173470) is N-carbamoyl-3-imino-2-methylpropanamide.
What is the SMILES notation for N-carbamoyl-3-imino-2-methylpropanamide?
The canonical SMILES for N-carbamoyl-3-imino-2-methylpropanamide is [H]/N=C/C(C)C(=O)NC(N)=O.
What is the InChIKey of N-carbamoyl-3-imino-2-methylpropanamide?
The InChIKey is VFLIEJKRKHQGIH-QHHAFSJGSA-N. The full InChI is InChI=1S/C5H9N3O2/c1-3(2-6)4(9)8-5(7)10/h2-3,6H,1H3,(H3,7,8,9,10)/b6-2+.
What are the key properties of N-carbamoyl-3-imino-2-methylpropanamide?
N-carbamoyl-3-imino-2-methylpropanamide has a molecular weight of 143.15 g/mol, XLogP of -0.53, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-3-imino-2-methylpropanamide is sourced from PubChem (CID 91173470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).