1-oxaspiro[2.3]hexan-5-ylcarbamic acid

C6H9NO3 — CID 89462618

IUPAC1-oxaspiro[2.3]hexan-5-ylcarbamic acid
SMILESO=C(O)NC1CC2(CO2)C1
InChIInChI=1S/C6H9NO3/c8-5(9)7-4-1-6(2-4)3-10-6/h4,7H,1-3H2,(H,8,9)
InChIKeyOWLBPUWRZDDPEI-UHFFFAOYSA-N
MW143.14 g/mol
LogP0.19
Rot. Bonds1

About 1-oxaspiro[2.3]hexan-5-ylcarbamic acid

1-oxaspiro[2.3]hexan-5-ylcarbamic acid (PubChem CID 89462618) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is 1-oxaspiro[2.3]hexan-5-ylcarbamic acid.

Molecular Properties

Compound Name1-oxaspiro[2.3]hexan-5-ylcarbamic acid
PubChem CID89462618
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Name1-oxaspiro[2.3]hexan-5-ylcarbamic acid
SMILESO=C(O)NC1CC2(CO2)C1
InChIInChI=1S/C6H9NO3/c8-5(9)7-4-1-6(2-4)3-10-6/h4,7H,1-3H2,(H,8,9)
InChIKeyOWLBPUWRZDDPEI-UHFFFAOYSA-N
XLogP0.19
TPSA61.86 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

CID 58520785
CID 58520785
CID 69190767
CID 69190767
CID 118114270
CID 118114270
CID 156198430
CID 156198430
CID 174223548
CID 174223548

Frequently Asked Questions

What is the IUPAC name of 1-oxaspiro[2.3]hexan-5-ylcarbamic acid?
The IUPAC name of 1-oxaspiro[2.3]hexan-5-ylcarbamic acid (CID 89462618) is 1-oxaspiro[2.3]hexan-5-ylcarbamic acid.
What is the SMILES notation for 1-oxaspiro[2.3]hexan-5-ylcarbamic acid?
The canonical SMILES for 1-oxaspiro[2.3]hexan-5-ylcarbamic acid is O=C(O)NC1CC2(CO2)C1.
What is the InChIKey of 1-oxaspiro[2.3]hexan-5-ylcarbamic acid?
The InChIKey is OWLBPUWRZDDPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO3/c8-5(9)7-4-1-6(2-4)3-10-6/h4,7H,1-3H2,(H,8,9).
What are the key properties of 1-oxaspiro[2.3]hexan-5-ylcarbamic acid?
1-oxaspiro[2.3]hexan-5-ylcarbamic acid has a molecular weight of 143.14 g/mol, XLogP of 0.19, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxaspiro[2.3]hexan-5-ylcarbamic acid is sourced from PubChem (CID 89462618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).