N-[(methylcarbamoylamino)methyl]formamide

C4H9N3O2 — CID 22950819

IUPACN-[(methylcarbamoylamino)methyl]formamide
SMILESCNC(=O)NCNC=O
InChIInChI=1S/C4H9N3O2/c1-5-4(9)7-2-6-3-8/h3H,2H2,1H3,(H,6,8)(H2,5,7,9)
InChIKeyFDMYLOSJXDLZNL-UHFFFAOYSA-N
MW131.14 g/mol
LogP-1.38
Rot. Bonds3

About N-[(methylcarbamoylamino)methyl]formamide

N-[(methylcarbamoylamino)methyl]formamide (PubChem CID 22950819) has the molecular formula C4H9N3O2 and a molecular weight of 131.14 g/mol. Its IUPAC name is N-[(methylcarbamoylamino)methyl]formamide.

Molecular Properties

Compound NameN-[(methylcarbamoylamino)methyl]formamide
PubChem CID22950819
Molecular FormulaC4H9N3O2
Molecular Weight131.14 g/mol
Exact Mass131.07
IUPAC NameN-[(methylcarbamoylamino)methyl]formamide
SMILESCNC(=O)NCNC=O
InChIInChI=1S/C4H9N3O2/c1-5-4(9)7-2-6-3-8/h3H,2H2,1H3,(H,6,8)(H2,5,7,9)
InChIKeyFDMYLOSJXDLZNL-UHFFFAOYSA-N
XLogP-1.38
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.14
LogP ≤ 5-1.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(methylcarbamoylamino)methyl]formamide?
The IUPAC name of N-[(methylcarbamoylamino)methyl]formamide (CID 22950819) is N-[(methylcarbamoylamino)methyl]formamide.
What is the SMILES notation for N-[(methylcarbamoylamino)methyl]formamide?
The canonical SMILES for N-[(methylcarbamoylamino)methyl]formamide is CNC(=O)NCNC=O.
What is the InChIKey of N-[(methylcarbamoylamino)methyl]formamide?
The InChIKey is FDMYLOSJXDLZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N3O2/c1-5-4(9)7-2-6-3-8/h3H,2H2,1H3,(H,6,8)(H2,5,7,9).
What are the key properties of N-[(methylcarbamoylamino)methyl]formamide?
N-[(methylcarbamoylamino)methyl]formamide has a molecular weight of 131.14 g/mol, XLogP of -1.38, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(methylcarbamoylamino)methyl]formamide is sourced from PubChem (CID 22950819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).