formaldehyde;propanediamide

C4H8N2O3 — CID 161283557

IUPACformaldehyde;propanediamide
SMILESC=O.NC(=O)CC(N)=O
InChIInChI=1S/C3H6N2O2.CH2O/c4-2(6)1-3(5)7;1-2/h1H2,(H2,4,6)(H2,5,7);1H2
InChIKeyVFKKHUDFTROCRB-UHFFFAOYSA-N
MW132.12 g/mol
LogP-1.84
Rot. Bonds2

About formaldehyde;propanediamide

formaldehyde;propanediamide (PubChem CID 161283557) has the molecular formula C4H8N2O3 and a molecular weight of 132.12 g/mol. Its IUPAC name is formaldehyde;propanediamide.

Molecular Properties

Compound Nameformaldehyde;propanediamide
PubChem CID161283557
Molecular FormulaC4H8N2O3
Molecular Weight132.12 g/mol
Exact Mass132.05
IUPAC Nameformaldehyde;propanediamide
SMILESC=O.NC(=O)CC(N)=O
InChIInChI=1S/C3H6N2O2.CH2O/c4-2(6)1-3(5)7;1-2/h1H2,(H2,4,6)(H2,5,7);1H2
InChIKeyVFKKHUDFTROCRB-UHFFFAOYSA-N
XLogP-1.84
TPSA103.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.12
LogP ≤ 5-1.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

propanediamide
CID 7911
3-amino-3-oxopropanoic acid;sulfane
CID 175305648
3-methylbut-3-enamide;molecular hydrogen
CID 153357956
carbamic acid;formaldehyde
CID 173133375
formaldehyde;urea;hydrochloride
CID 158235523
azane;3-oxobutanamide
CID 172802770
(1,3-diamino-3-oxopropylidene)azanium chloride
CID 11423629
ethene;hex-3-enediamide
CID 173451408
3-amino-3-oxopropanoic acid;sulfuric acid
CID 71430427
bis(3-amino-3-oxopropanoyl) oxalate
CID 174616357
CID 87057822
CID 87057822
3-sulfonylbutanamide
CID 87629515

Frequently Asked Questions

What is the IUPAC name of formaldehyde;propanediamide?
The IUPAC name of formaldehyde;propanediamide (CID 161283557) is formaldehyde;propanediamide.
What is the SMILES notation for formaldehyde;propanediamide?
The canonical SMILES for formaldehyde;propanediamide is C=O.NC(=O)CC(N)=O.
What is the InChIKey of formaldehyde;propanediamide?
The InChIKey is VFKKHUDFTROCRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N2O2.CH2O/c4-2(6)1-3(5)7;1-2/h1H2,(H2,4,6)(H2,5,7);1H2.
What are the key properties of formaldehyde;propanediamide?
formaldehyde;propanediamide has a molecular weight of 132.12 g/mol, XLogP of -1.84, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;propanediamide is sourced from PubChem (CID 161283557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).