N-(aminomethyl)-N-formylformamide

C3H6N2O2 — CID 158356927

IUPACN-(aminomethyl)-N-formylformamide
SMILESNCN(C=O)C=O
InChIInChI=1S/C3H6N2O2/c4-1-5(2-6)3-7/h2-3H,1,4H2
InChIKeyGLANHYKHHZUTIY-UHFFFAOYSA-N
MW102.09 g/mol
LogP-1.48
Rot. Bonds3

About N-(aminomethyl)-N-formylformamide

N-(aminomethyl)-N-formylformamide (PubChem CID 158356927) has the molecular formula C3H6N2O2 and a molecular weight of 102.09 g/mol. Its IUPAC name is N-(aminomethyl)-N-formylformamide.

Molecular Properties

Compound NameN-(aminomethyl)-N-formylformamide
PubChem CID158356927
Molecular FormulaC3H6N2O2
Molecular Weight102.09 g/mol
Exact Mass102.04
IUPAC NameN-(aminomethyl)-N-formylformamide
SMILESNCN(C=O)C=O
InChIInChI=1S/C3H6N2O2/c4-1-5(2-6)3-7/h2-3H,1,4H2
InChIKeyGLANHYKHHZUTIY-UHFFFAOYSA-N
XLogP-1.48
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.09
LogP ≤ 5-1.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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-(aminomethyl)-N-formylformamide?
The IUPAC name of N-(aminomethyl)-N-formylformamide (CID 158356927) is N-(aminomethyl)-N-formylformamide.
What is the SMILES notation for N-(aminomethyl)-N-formylformamide?
The canonical SMILES for N-(aminomethyl)-N-formylformamide is NCN(C=O)C=O.
What is the InChIKey of N-(aminomethyl)-N-formylformamide?
The InChIKey is GLANHYKHHZUTIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N2O2/c4-1-5(2-6)3-7/h2-3H,1,4H2.
What are the key properties of N-(aminomethyl)-N-formylformamide?
N-(aminomethyl)-N-formylformamide has a molecular weight of 102.09 g/mol, XLogP of -1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(aminomethyl)-N-formylformamide is sourced from PubChem (CID 158356927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).