N-[formyl(methyl)carbamoyl]formamide

C4H6N2O3 — CID 20653417

IUPACN-[formyl(methyl)carbamoyl]formamide
SMILESCN(C=O)C(=O)NC=O
InChIInChI=1S/C4H6N2O3/c1-6(3-8)4(9)5-2-7/h2-3H,1H3,(H,5,7,9)
InChIKeyNOMNJLWDBXKVMH-UHFFFAOYSA-N
MW130.10 g/mol
LogP-1.06
Rot. Bonds2

About N-[formyl(methyl)carbamoyl]formamide

N-[formyl(methyl)carbamoyl]formamide (PubChem CID 20653417) has the molecular formula C4H6N2O3 and a molecular weight of 130.10 g/mol. Its IUPAC name is N-[formyl(methyl)carbamoyl]formamide.

Molecular Properties

Compound NameN-[formyl(methyl)carbamoyl]formamide
PubChem CID20653417
Molecular FormulaC4H6N2O3
Molecular Weight130.10 g/mol
Exact Mass130.04
IUPAC NameN-[formyl(methyl)carbamoyl]formamide
SMILESCN(C=O)C(=O)NC=O
InChIInChI=1S/C4H6N2O3/c1-6(3-8)4(9)5-2-7/h2-3H,1H3,(H,5,7,9)
InChIKeyNOMNJLWDBXKVMH-UHFFFAOYSA-N
XLogP-1.06
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.10
LogP ≤ 5-1.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[formyl(methyl)carbamoyl]formamide?
The IUPAC name of N-[formyl(methyl)carbamoyl]formamide (CID 20653417) is N-[formyl(methyl)carbamoyl]formamide.
What is the SMILES notation for N-[formyl(methyl)carbamoyl]formamide?
The canonical SMILES for N-[formyl(methyl)carbamoyl]formamide is CN(C=O)C(=O)NC=O.
What is the InChIKey of N-[formyl(methyl)carbamoyl]formamide?
The InChIKey is NOMNJLWDBXKVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O3/c1-6(3-8)4(9)5-2-7/h2-3H,1H3,(H,5,7,9).
What are the key properties of N-[formyl(methyl)carbamoyl]formamide?
N-[formyl(methyl)carbamoyl]formamide has a molecular weight of 130.10 g/mol, XLogP of -1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[formyl(methyl)carbamoyl]formamide is sourced from PubChem (CID 20653417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).