carbamic acid;3-methyl-7-oxabicyclo[4.1.0]heptane

C8H15NO3 — CID 174713782

IUPACcarbamic acid;3-methyl-7-oxabicyclo[4.1.0]heptane
SMILESCC1CCC2OC2C1.NC(=O)O
InChIInChI=1S/C7H12O.CH3NO2/c1-5-2-3-6-7(4-5)8-6;2-1(3)4/h5-7H,2-4H2,1H3;2H2,(H,3,4)
InChIKeyRIDNXOVIXXMPGA-UHFFFAOYSA-N
MW173.21 g/mol
LogP1.20
Rot. Bonds

About carbamic acid;3-methyl-7-oxabicyclo[4.1.0]heptane

carbamic acid;3-methyl-7-oxabicyclo[4.1.0]heptane (PubChem CID 174713782) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is carbamic acid;3-methyl-7-oxabicyclo[4.1.0]heptane.

Molecular Properties

Compound Namecarbamic acid;3-methyl-7-oxabicyclo[4.1.0]heptane
PubChem CID174713782
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Namecarbamic acid;3-methyl-7-oxabicyclo[4.1.0]heptane
SMILESCC1CCC2OC2C1.NC(=O)O
InChIInChI=1S/C7H12O.CH3NO2/c1-5-2-3-6-7(4-5)8-6;2-1(3)4/h5-7H,2-4H2,1H3;2H2,(H,3,4)
InChIKeyRIDNXOVIXXMPGA-UHFFFAOYSA-N
XLogP1.20
TPSA75.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 51.20
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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Frequently Asked Questions

What is the IUPAC name of carbamic acid;3-methyl-7-oxabicyclo[4.1.0]heptane?
The IUPAC name of carbamic acid;3-methyl-7-oxabicyclo[4.1.0]heptane (CID 174713782) is carbamic acid;3-methyl-7-oxabicyclo[4.1.0]heptane.
What is the SMILES notation for carbamic acid;3-methyl-7-oxabicyclo[4.1.0]heptane?
The canonical SMILES for carbamic acid;3-methyl-7-oxabicyclo[4.1.0]heptane is CC1CCC2OC2C1.NC(=O)O.
What is the InChIKey of carbamic acid;3-methyl-7-oxabicyclo[4.1.0]heptane?
The InChIKey is RIDNXOVIXXMPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O.CH3NO2/c1-5-2-3-6-7(4-5)8-6;2-1(3)4/h5-7H,2-4H2,1H3;2H2,(H,3,4).
What are the key properties of carbamic acid;3-methyl-7-oxabicyclo[4.1.0]heptane?
carbamic acid;3-methyl-7-oxabicyclo[4.1.0]heptane has a molecular weight of 173.21 g/mol, XLogP of 1.20, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbamic acid;3-methyl-7-oxabicyclo[4.1.0]heptane is sourced from PubChem (CID 174713782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).