N-(dimethylcarbamoylamino)formamide

C4H9N3O2 — CID 57038201

IUPACN-(dimethylcarbamoylamino)formamide
SMILESCN(C)C(=O)NNC=O
InChIInChI=1S/C4H9N3O2/c1-7(2)4(9)6-5-3-8/h3H,1-2H3,(H,5,8)(H,6,9)
InChIKeyNVSYNGMODMVSHZ-UHFFFAOYSA-N
MW131.13 g/mol
LogP-1.08
Rot. Bonds2

About N-(dimethylcarbamoylamino)formamide

N-(dimethylcarbamoylamino)formamide (PubChem CID 57038201) has the molecular formula C4H9N3O2 and a molecular weight of 131.13 g/mol. Its IUPAC name is N-(dimethylcarbamoylamino)formamide.

Molecular Properties

Compound NameN-(dimethylcarbamoylamino)formamide
PubChem CID57038201
Molecular FormulaC4H9N3O2
Molecular Weight131.13 g/mol
Exact Mass131.07
IUPAC NameN-(dimethylcarbamoylamino)formamide
SMILESCN(C)C(=O)NNC=O
InChIInChI=1S/C4H9N3O2/c1-7(2)4(9)6-5-3-8/h3H,1-2H3,(H,5,8)(H,6,9)
InChIKeyNVSYNGMODMVSHZ-UHFFFAOYSA-N
XLogP-1.08
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.13
LogP ≤ 5-1.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(dimethylcarbamoylamino)formamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(dimethylcarbamoylamino)formamide?
The IUPAC name of N-(dimethylcarbamoylamino)formamide (CID 57038201) is N-(dimethylcarbamoylamino)formamide.
What is the SMILES notation for N-(dimethylcarbamoylamino)formamide?
The canonical SMILES for N-(dimethylcarbamoylamino)formamide is CN(C)C(=O)NNC=O.
What is the InChIKey of N-(dimethylcarbamoylamino)formamide?
The InChIKey is NVSYNGMODMVSHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N3O2/c1-7(2)4(9)6-5-3-8/h3H,1-2H3,(H,5,8)(H,6,9).
What are the key properties of N-(dimethylcarbamoylamino)formamide?
N-(dimethylcarbamoylamino)formamide has a molecular weight of 131.13 g/mol, XLogP of -1.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dimethylcarbamoylamino)formamide is sourced from PubChem (CID 57038201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).