[3-[(E)-but-2-enoxy]cyclobutyl]carbamic acid

C9H15NO3 — CID 155351782

IUPAC[3-[(E)-but-2-enoxy]cyclobutyl]carbamic acid
SMILESC/C=C/COC1CC(NC(=O)O)C1
InChIInChI=1S/C9H15NO3/c1-2-3-4-13-8-5-7(6-8)10-9(11)12/h2-3,7-8,10H,4-6H2,1H3,(H,11,12)/b3-2+
InChIKeySPRDIKZRBQNERJ-NSCUHMNNSA-N
MW185.22 g/mol
LogP1.38
Rot. Bonds4

About [3-[(E)-but-2-enoxy]cyclobutyl]carbamic acid

[3-[(E)-but-2-enoxy]cyclobutyl]carbamic acid (PubChem CID 155351782) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is [3-[(E)-but-2-enoxy]cyclobutyl]carbamic acid.

Molecular Properties

Compound Name[3-[(E)-but-2-enoxy]cyclobutyl]carbamic acid
PubChem CID155351782
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name[3-[(E)-but-2-enoxy]cyclobutyl]carbamic acid
SMILESC/C=C/COC1CC(NC(=O)O)C1
InChIInChI=1S/C9H15NO3/c1-2-3-4-13-8-5-7(6-8)10-9(11)12/h2-3,7-8,10H,4-6H2,1H3,(H,11,12)/b3-2+
InChIKeySPRDIKZRBQNERJ-NSCUHMNNSA-N
XLogP1.38
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-[(E)-but-2-enoxy]cyclobutyl]carbamic acid?
The IUPAC name of [3-[(E)-but-2-enoxy]cyclobutyl]carbamic acid (CID 155351782) is [3-[(E)-but-2-enoxy]cyclobutyl]carbamic acid.
What is the SMILES notation for [3-[(E)-but-2-enoxy]cyclobutyl]carbamic acid?
The canonical SMILES for [3-[(E)-but-2-enoxy]cyclobutyl]carbamic acid is C/C=C/COC1CC(NC(=O)O)C1.
What is the InChIKey of [3-[(E)-but-2-enoxy]cyclobutyl]carbamic acid?
The InChIKey is SPRDIKZRBQNERJ-NSCUHMNNSA-N. The full InChI is InChI=1S/C9H15NO3/c1-2-3-4-13-8-5-7(6-8)10-9(11)12/h2-3,7-8,10H,4-6H2,1H3,(H,11,12)/b3-2+.
What are the key properties of [3-[(E)-but-2-enoxy]cyclobutyl]carbamic acid?
[3-[(E)-but-2-enoxy]cyclobutyl]carbamic acid has a molecular weight of 185.22 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(E)-but-2-enoxy]cyclobutyl]carbamic acid is sourced from PubChem (CID 155351782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).