2-(hydroxymethyl)-3-iminopropanamide

C4H8N2O2 — CID 123742041

IUPAC2-(hydroxymethyl)-3-iminopropanamide
SMILES[H]/N=C/C(CO)C(N)=O
InChIInChI=1S/C4H8N2O2/c5-1-3(2-7)4(6)8/h1,3,5,7H,2H2,(H2,6,8)/b5-1+
InChIKeyCCGPZDJKRSLGOE-ORCRQEGFSA-N
MW116.12 g/mol
LogP-1.27
Rot. Bonds3

About 2-(hydroxymethyl)-3-iminopropanamide

2-(hydroxymethyl)-3-iminopropanamide (PubChem CID 123742041) has the molecular formula C4H8N2O2 and a molecular weight of 116.12 g/mol. Its IUPAC name is 2-(hydroxymethyl)-3-iminopropanamide.

Molecular Properties

Compound Name2-(hydroxymethyl)-3-iminopropanamide
PubChem CID123742041
Molecular FormulaC4H8N2O2
Molecular Weight116.12 g/mol
Exact Mass116.06
IUPAC Name2-(hydroxymethyl)-3-iminopropanamide
SMILES[H]/N=C/C(CO)C(N)=O
InChIInChI=1S/C4H8N2O2/c5-1-3(2-7)4(6)8/h1,3,5,7H,2H2,(H2,6,8)/b5-1+
InChIKeyCCGPZDJKRSLGOE-ORCRQEGFSA-N
XLogP-1.27
TPSA87.17 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.12
LogP ≤ 5-1.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-3-iminopropanamide?
The IUPAC name of 2-(hydroxymethyl)-3-iminopropanamide (CID 123742041) is 2-(hydroxymethyl)-3-iminopropanamide.
What is the SMILES notation for 2-(hydroxymethyl)-3-iminopropanamide?
The canonical SMILES for 2-(hydroxymethyl)-3-iminopropanamide is [H]/N=C/C(CO)C(N)=O.
What is the InChIKey of 2-(hydroxymethyl)-3-iminopropanamide?
The InChIKey is CCGPZDJKRSLGOE-ORCRQEGFSA-N. The full InChI is InChI=1S/C4H8N2O2/c5-1-3(2-7)4(6)8/h1,3,5,7H,2H2,(H2,6,8)/b5-1+.
What are the key properties of 2-(hydroxymethyl)-3-iminopropanamide?
2-(hydroxymethyl)-3-iminopropanamide has a molecular weight of 116.12 g/mol, XLogP of -1.27, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-3-iminopropanamide is sourced from PubChem (CID 123742041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).