carbamic acid;oxolane-2,5-dione

C5H7NO5 — CID 174883568

IUPACcarbamic acid;oxolane-2,5-dione
SMILESNC(=O)O.O=C1CCC(=O)O1
InChIInChI=1S/C4H4O3.CH3NO2/c5-3-1-2-4(6)7-3;2-1(3)4/h1-2H2;2H2,(H,3,4)
InChIKeyFAXCEGAYTNAIQI-UHFFFAOYSA-N
MW161.11 g/mol
LogP-0.53
Rot. Bonds

About carbamic acid;oxolane-2,5-dione

carbamic acid;oxolane-2,5-dione (PubChem CID 174883568) has the molecular formula C5H7NO5 and a molecular weight of 161.11 g/mol. Its IUPAC name is carbamic acid;oxolane-2,5-dione.

Molecular Properties

Compound Namecarbamic acid;oxolane-2,5-dione
PubChem CID174883568
Molecular FormulaC5H7NO5
Molecular Weight161.11 g/mol
Exact Mass161.03
IUPAC Namecarbamic acid;oxolane-2,5-dione
SMILESNC(=O)O.O=C1CCC(=O)O1
InChIInChI=1S/C4H4O3.CH3NO2/c5-3-1-2-4(6)7-3;2-1(3)4/h1-2H2;2H2,(H,3,4)
InChIKeyFAXCEGAYTNAIQI-UHFFFAOYSA-N
XLogP-0.53
TPSA106.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.11
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

but-2-enedioic acid;oxolane-2,5-dione
CID 160630986
carbonic acid;ethane-1,2-diol;oxolane-2,5-dione
CID 88692501
oxolane-2,5-dione;zinc
CID 159620051
ethene;oxolane-2,5-dione
CID 88750918
carbonic acid;1-fluoroprop-1-ene;oxolane-2,5-dione
CID 174899999
carbamic acid;1,2,4-trioxocane-5,8-dione
CID 175568588
(2,6-13C2)oxane-2,6-dione
CID 45039353
adamantane;oxolane-2,5-dione
CID 18424860
methanol;oxane-2,6-dione
CID 175106856
bis(2-methylprop-2-enoic acid);oxepane-2,7-dione
CID 87784863
oxacyclododecane-2,12-dione
CID 14785770
oxane-2,6-dione;hydrofluoride
CID 158320792

Frequently Asked Questions

What is the IUPAC name of carbamic acid;oxolane-2,5-dione?
The IUPAC name of carbamic acid;oxolane-2,5-dione (CID 174883568) is carbamic acid;oxolane-2,5-dione.
What is the SMILES notation for carbamic acid;oxolane-2,5-dione?
The canonical SMILES for carbamic acid;oxolane-2,5-dione is NC(=O)O.O=C1CCC(=O)O1.
What is the InChIKey of carbamic acid;oxolane-2,5-dione?
The InChIKey is FAXCEGAYTNAIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4O3.CH3NO2/c5-3-1-2-4(6)7-3;2-1(3)4/h1-2H2;2H2,(H,3,4).
What are the key properties of carbamic acid;oxolane-2,5-dione?
carbamic acid;oxolane-2,5-dione has a molecular weight of 161.11 g/mol, XLogP of -0.53, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbamic acid;oxolane-2,5-dione is sourced from PubChem (CID 174883568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).