carbamic acid;methyl prop-2-eneperoxoate

C5H9NO5 — CID 160528403

IUPACcarbamic acid;methyl prop-2-eneperoxoate
SMILESC=CC(=O)OOC.NC(=O)O
InChIInChI=1S/C4H6O3.CH3NO2/c1-3-4(5)7-6-2;2-1(3)4/h3H,1H2,2H3;2H2,(H,3,4)
InChIKeyQVFBMVMJSARBLM-UHFFFAOYSA-N
MW163.13 g/mol
LogP-0.10
Rot. Bonds2

About carbamic acid;methyl prop-2-eneperoxoate

carbamic acid;methyl prop-2-eneperoxoate (PubChem CID 160528403) has the molecular formula C5H9NO5 and a molecular weight of 163.13 g/mol. Its IUPAC name is carbamic acid;methyl prop-2-eneperoxoate.

Molecular Properties

Compound Namecarbamic acid;methyl prop-2-eneperoxoate
PubChem CID160528403
Molecular FormulaC5H9NO5
Molecular Weight163.13 g/mol
Exact Mass163.05
IUPAC Namecarbamic acid;methyl prop-2-eneperoxoate
SMILESC=CC(=O)OOC.NC(=O)O
InChIInChI=1S/C4H6O3.CH3NO2/c1-3-4(5)7-6-2;2-1(3)4/h3H,1H2,2H3;2H2,(H,3,4)
InChIKeyQVFBMVMJSARBLM-UHFFFAOYSA-N
XLogP-0.10
TPSA98.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.13
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

methyl prop-2-eneperoxoate;methyl prop-2-enoate
CID 158304508
ethane-1,2-diol;ethene;methyl prop-2-eneperoxoate
CID 173344344
but-1-ene;methyl prop-2-eneperoxoate
CID 157272796
tert-butyl prop-2-enoate;carbamic acid
CID 162149452
amino prop-2-eneperoxoate
CID 54317531
carbamic acid;propyl prop-2-enoate
CID 87571569
dimethyl (Z)-but-2-enediperoxoate
CID 118352709
ethyl carbamate;prop-2-enoic acid;prop-2-enoyloxy prop-2-eneperoxoate
CID 121452068
formaldehyde;bis(methyl prop-2-enoate)
CID 174834920
benzene;ethene;methyl prop-2-enoate
CID 174897686
carbamic acid;prop-2-enoic acid;hydrate
CID 174529556
methoxymethane;prop-2-enoic acid
CID 22665045

Frequently Asked Questions

What is the IUPAC name of carbamic acid;methyl prop-2-eneperoxoate?
The IUPAC name of carbamic acid;methyl prop-2-eneperoxoate (CID 160528403) is carbamic acid;methyl prop-2-eneperoxoate.
What is the SMILES notation for carbamic acid;methyl prop-2-eneperoxoate?
The canonical SMILES for carbamic acid;methyl prop-2-eneperoxoate is C=CC(=O)OOC.NC(=O)O.
What is the InChIKey of carbamic acid;methyl prop-2-eneperoxoate?
The InChIKey is QVFBMVMJSARBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O3.CH3NO2/c1-3-4(5)7-6-2;2-1(3)4/h3H,1H2,2H3;2H2,(H,3,4).
What are the key properties of carbamic acid;methyl prop-2-eneperoxoate?
carbamic acid;methyl prop-2-eneperoxoate has a molecular weight of 163.13 g/mol, XLogP of -0.10, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbamic acid;methyl prop-2-eneperoxoate is sourced from PubChem (CID 160528403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).