chloroethene;N-(hydroxymethyl)cyclobutene-1-carboxamide

C8H12ClNO2 — CID 88691060

IUPACchloroethene;N-(hydroxymethyl)cyclobutene-1-carboxamide
SMILESC=CCl.O=C(NCO)C1=CCC1
InChIInChI=1S/C6H9NO2.C2H3Cl/c8-4-7-6(9)5-2-1-3-5;1-2-3/h2,8H,1,3-4H2,(H,7,9);2H,1H2
InChIKeyFTDWFAXERXZSDV-UHFFFAOYSA-N
MW189.64 g/mol
LogP1.14
Rot. Bonds2

About chloroethene;N-(hydroxymethyl)cyclobutene-1-carboxamide

chloroethene;N-(hydroxymethyl)cyclobutene-1-carboxamide (PubChem CID 88691060) has the molecular formula C8H12ClNO2 and a molecular weight of 189.64 g/mol. Its IUPAC name is chloroethene;N-(hydroxymethyl)cyclobutene-1-carboxamide.

Molecular Properties

Compound Namechloroethene;N-(hydroxymethyl)cyclobutene-1-carboxamide
PubChem CID88691060
Molecular FormulaC8H12ClNO2
Molecular Weight189.64 g/mol
Exact Mass189.06
IUPAC Namechloroethene;N-(hydroxymethyl)cyclobutene-1-carboxamide
SMILESC=CCl.O=C(NCO)C1=CCC1
InChIInChI=1S/C6H9NO2.C2H3Cl/c8-4-7-6(9)5-2-1-3-5;1-2-3/h2,8H,1,3-4H2,(H,7,9);2H,1H2
InChIKeyFTDWFAXERXZSDV-UHFFFAOYSA-N
XLogP1.14
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.64
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of chloroethene;N-(hydroxymethyl)cyclobutene-1-carboxamide?
The IUPAC name of chloroethene;N-(hydroxymethyl)cyclobutene-1-carboxamide (CID 88691060) is chloroethene;N-(hydroxymethyl)cyclobutene-1-carboxamide.
What is the SMILES notation for chloroethene;N-(hydroxymethyl)cyclobutene-1-carboxamide?
The canonical SMILES for chloroethene;N-(hydroxymethyl)cyclobutene-1-carboxamide is C=CCl.O=C(NCO)C1=CCC1.
What is the InChIKey of chloroethene;N-(hydroxymethyl)cyclobutene-1-carboxamide?
The InChIKey is FTDWFAXERXZSDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2.C2H3Cl/c8-4-7-6(9)5-2-1-3-5;1-2-3/h2,8H,1,3-4H2,(H,7,9);2H,1H2.
What are the key properties of chloroethene;N-(hydroxymethyl)cyclobutene-1-carboxamide?
chloroethene;N-(hydroxymethyl)cyclobutene-1-carboxamide has a molecular weight of 189.64 g/mol, XLogP of 1.14, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloroethene;N-(hydroxymethyl)cyclobutene-1-carboxamide is sourced from PubChem (CID 88691060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).