(3-formylcyclobutyl)carbamic acid

C6H9NO3 — CID 134347794

IUPAC(3-formylcyclobutyl)carbamic acid
SMILESO=CC1CC(NC(=O)O)C1
InChIInChI=1S/C6H9NO3/c8-3-4-1-5(2-4)7-6(9)10/h3-5,7H,1-2H2,(H,9,10)
InChIKeySNJDPOFMJCICMW-UHFFFAOYSA-N
MW143.14 g/mol
LogP0.23
Rot. Bonds2

About (3-formylcyclobutyl)carbamic acid

(3-formylcyclobutyl)carbamic acid (PubChem CID 134347794) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is (3-formylcyclobutyl)carbamic acid.

Molecular Properties

Compound Name(3-formylcyclobutyl)carbamic acid
PubChem CID134347794
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Name(3-formylcyclobutyl)carbamic acid
SMILESO=CC1CC(NC(=O)O)C1
InChIInChI=1S/C6H9NO3/c8-3-4-1-5(2-4)7-6(9)10/h3-5,7H,1-2H2,(H,9,10)
InChIKeySNJDPOFMJCICMW-UHFFFAOYSA-N
XLogP0.23
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-formylcyclobutyl)carbamic acid?
The IUPAC name of (3-formylcyclobutyl)carbamic acid (CID 134347794) is (3-formylcyclobutyl)carbamic acid.
What is the SMILES notation for (3-formylcyclobutyl)carbamic acid?
The canonical SMILES for (3-formylcyclobutyl)carbamic acid is O=CC1CC(NC(=O)O)C1.
What is the InChIKey of (3-formylcyclobutyl)carbamic acid?
The InChIKey is SNJDPOFMJCICMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO3/c8-3-4-1-5(2-4)7-6(9)10/h3-5,7H,1-2H2,(H,9,10).
What are the key properties of (3-formylcyclobutyl)carbamic acid?
(3-formylcyclobutyl)carbamic acid has a molecular weight of 143.14 g/mol, XLogP of 0.23, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-formylcyclobutyl)carbamic acid is sourced from PubChem (CID 134347794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).