propanediamide

C3H6N2O2 — CID 7911

IUPACpropanediamide
SMILESNC(=O)CC(N)=O
InChIInChI=1S/C3H6N2O2/c4-2(6)1-3(5)7/h1H2,(H2,4,6)(H2,5,7)
InChIKeyWRIRWRKPLXCTFD-UHFFFAOYSA-N
MW102.09 g/mol
LogP-1.65
Rot. Bonds2

About propanediamide

propanediamide (PubChem CID 7911) has the molecular formula C3H6N2O2 and a molecular weight of 102.09 g/mol. Its IUPAC name is propanediamide.

Molecular Properties

Compound Namepropanediamide
PubChem CID7911
Molecular FormulaC3H6N2O2
Molecular Weight102.09 g/mol
Exact Mass102.04
IUPAC Namepropanediamide
SMILESNC(=O)CC(N)=O
InChIInChI=1S/C3H6N2O2/c4-2(6)1-3(5)7/h1H2,(H2,4,6)(H2,5,7)
InChIKeyWRIRWRKPLXCTFD-UHFFFAOYSA-N
XLogP-1.65
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.09
LogP ≤ 5-1.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

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3-sulfonylbutanamide
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(4S)-4-amino-3-oxopentanamide
CID 23519305
2-(15N)azanylacetamide;hydrochloride
CID 131708744
2-aminoacetamide;dihydrobromide
CID 20567050
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CID 174826964

Frequently Asked Questions

What is the IUPAC name of propanediamide?
The IUPAC name of propanediamide (CID 7911) is propanediamide.
What is the SMILES notation for propanediamide?
The canonical SMILES for propanediamide is NC(=O)CC(N)=O.
What is the InChIKey of propanediamide?
The InChIKey is WRIRWRKPLXCTFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N2O2/c4-2(6)1-3(5)7/h1H2,(H2,4,6)(H2,5,7).
What are the key properties of propanediamide?
propanediamide has a molecular weight of 102.09 g/mol, XLogP of -1.65, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propanediamide is sourced from PubChem (CID 7911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).