(3-ethenoxycyclobutyl)carbamic acid

C7H11NO3 — CID 163717146

IUPAC(3-ethenoxycyclobutyl)carbamic acid
SMILESC=COC1CC(NC(=O)O)C1
InChIInChI=1S/C7H11NO3/c1-2-11-6-3-5(4-6)8-7(9)10/h2,5-6,8H,1,3-4H2,(H,9,10)
InChIKeyKOIYKWSHZJJORE-UHFFFAOYSA-N
MW157.17 g/mol
LogP0.95
Rot. Bonds3

About (3-ethenoxycyclobutyl)carbamic acid

(3-ethenoxycyclobutyl)carbamic acid (PubChem CID 163717146) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is (3-ethenoxycyclobutyl)carbamic acid.

Molecular Properties

Compound Name(3-ethenoxycyclobutyl)carbamic acid
PubChem CID163717146
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name(3-ethenoxycyclobutyl)carbamic acid
SMILESC=COC1CC(NC(=O)O)C1
InChIInChI=1S/C7H11NO3/c1-2-11-6-3-5(4-6)8-7(9)10/h2,5-6,8H,1,3-4H2,(H,9,10)
InChIKeyKOIYKWSHZJJORE-UHFFFAOYSA-N
XLogP0.95
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3-ethenoxycyclobutyl)carbamic acid?
The IUPAC name of (3-ethenoxycyclobutyl)carbamic acid (CID 163717146) is (3-ethenoxycyclobutyl)carbamic acid.
What is the SMILES notation for (3-ethenoxycyclobutyl)carbamic acid?
The canonical SMILES for (3-ethenoxycyclobutyl)carbamic acid is C=COC1CC(NC(=O)O)C1.
What is the InChIKey of (3-ethenoxycyclobutyl)carbamic acid?
The InChIKey is KOIYKWSHZJJORE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c1-2-11-6-3-5(4-6)8-7(9)10/h2,5-6,8H,1,3-4H2,(H,9,10).
What are the key properties of (3-ethenoxycyclobutyl)carbamic acid?
(3-ethenoxycyclobutyl)carbamic acid has a molecular weight of 157.17 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethenoxycyclobutyl)carbamic acid is sourced from PubChem (CID 163717146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).