N-[(carbamoylamino)methylidene]formamide

C3H5N3O2 — CID 91528299

IUPACN-[(carbamoylamino)methylidene]formamide
SMILESNC(=O)N/C=N/C=O
InChIInChI=1S/C3H5N3O2/c4-3(8)6-1-5-2-7/h1-2H,(H3,4,5,6,7,8)
InChIKeyJNWPQZMLSPMFPH-UHFFFAOYSA-N
MW115.09 g/mol
LogP-1.16
Rot. Bonds2

About N-[(carbamoylamino)methylidene]formamide

N-[(carbamoylamino)methylidene]formamide (PubChem CID 91528299) has the molecular formula C3H5N3O2 and a molecular weight of 115.09 g/mol. Its IUPAC name is N-[(carbamoylamino)methylidene]formamide.

Molecular Properties

Compound NameN-[(carbamoylamino)methylidene]formamide
PubChem CID91528299
Molecular FormulaC3H5N3O2
Molecular Weight115.09 g/mol
Exact Mass115.04
IUPAC NameN-[(carbamoylamino)methylidene]formamide
SMILESNC(=O)N/C=N/C=O
InChIInChI=1S/C3H5N3O2/c4-3(8)6-1-5-2-7/h1-2H,(H3,4,5,6,7,8)
InChIKeyJNWPQZMLSPMFPH-UHFFFAOYSA-N
XLogP-1.16
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.09
LogP ≤ 5-1.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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-[(carbamoylamino)methylidene]formamide?
The IUPAC name of N-[(carbamoylamino)methylidene]formamide (CID 91528299) is N-[(carbamoylamino)methylidene]formamide.
What is the SMILES notation for N-[(carbamoylamino)methylidene]formamide?
The canonical SMILES for N-[(carbamoylamino)methylidene]formamide is NC(=O)N/C=N/C=O.
What is the InChIKey of N-[(carbamoylamino)methylidene]formamide?
The InChIKey is JNWPQZMLSPMFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5N3O2/c4-3(8)6-1-5-2-7/h1-2H,(H3,4,5,6,7,8).
What are the key properties of N-[(carbamoylamino)methylidene]formamide?
N-[(carbamoylamino)methylidene]formamide has a molecular weight of 115.09 g/mol, XLogP of -1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(carbamoylamino)methylidene]formamide is sourced from PubChem (CID 91528299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).