4,4-diaminooxolan-2-one

C4H8N2O2 — CID 123435745

IUPAC4,4-diaminooxolan-2-one
SMILESNC1(N)COC(=O)C1
InChIInChI=1S/C4H8N2O2/c5-4(6)1-3(7)8-2-4/h1-2,5-6H2
InChIKeyZNEBVDRMTCJVQZ-UHFFFAOYSA-N
MW116.12 g/mol
LogP-1.45
Rot. Bonds

About 4,4-diaminooxolan-2-one

4,4-diaminooxolan-2-one (PubChem CID 123435745) has the molecular formula C4H8N2O2 and a molecular weight of 116.12 g/mol. Its IUPAC name is 4,4-diaminooxolan-2-one.

Molecular Properties

Compound Name4,4-diaminooxolan-2-one
PubChem CID123435745
Molecular FormulaC4H8N2O2
Molecular Weight116.12 g/mol
Exact Mass116.06
IUPAC Name4,4-diaminooxolan-2-one
SMILESNC1(N)COC(=O)C1
InChIInChI=1S/C4H8N2O2/c5-4(6)1-3(7)8-2-4/h1-2,5-6H2
InChIKeyZNEBVDRMTCJVQZ-UHFFFAOYSA-N
XLogP-1.45
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.12
LogP ≤ 5-1.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(3R)-3-hydroxy-5-oxooxolane-3-carboxylic acid
CID 45084685
3,3-diaminocyclobutan-1-one
CID 147618853
(7R,9S)-7,9-dimethyl-2-oxaspiro[4.5]decan-3-one
CID 141026930
3,3,12,12-tetramethyl-1,5,10,14-tetraoxacyclooctadecane-6,9,15,18-tetrone
CID 604363
1-(3-methyl-5-oxooxolan-3-yl)oxyazetidine-2,4-dione
CID 59960018
4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-methyloxolan-2-one
CID 143195353
4-(4-hydroxyphenyl)-4-methyloxolan-2-one
CID 105445803
4,4-di(nonyl)oxolan-2-one
CID 139783002
(6S)-6-methylspiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one
CID 59229021
2-amino-1,6-dihydroxy-2-(hydroxymethyl)-3,9,10-trioxabicyclo[4.3.2]undecane-4,8,11-trione
CID 154680740
[3-(fluoromethyl)-5-oxooxolan-3-yl] acetate
CID 69018685
5-iodospiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one
CID 146617215

Frequently Asked Questions

What is the IUPAC name of 4,4-diaminooxolan-2-one?
The IUPAC name of 4,4-diaminooxolan-2-one (CID 123435745) is 4,4-diaminooxolan-2-one.
What is the SMILES notation for 4,4-diaminooxolan-2-one?
The canonical SMILES for 4,4-diaminooxolan-2-one is NC1(N)COC(=O)C1.
What is the InChIKey of 4,4-diaminooxolan-2-one?
The InChIKey is ZNEBVDRMTCJVQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O2/c5-4(6)1-3(7)8-2-4/h1-2,5-6H2.
What are the key properties of 4,4-diaminooxolan-2-one?
4,4-diaminooxolan-2-one has a molecular weight of 116.12 g/mol, XLogP of -1.45, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-diaminooxolan-2-one is sourced from PubChem (CID 123435745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).