2,3-dimethylbicyclo[2.2.0]hexa-1,3,5-triene;methylcarbamic acid

C10H13NO2 — CID 70266137

IUPAC2,3-dimethylbicyclo[2.2.0]hexa-1,3,5-triene;methylcarbamic acid
SMILESCNC(=O)O.Cc1c2ccc-2c1C
InChIInChI=1S/C8H8.C2H5NO2/c1-5-6(2)8-4-3-7(5)8;1-3-2(4)5/h3-4H,1-2H3;3H,1H3,(H,4,5)
InChIKeyUOHUOURUMLDOQD-UHFFFAOYSA-N
MW179.22 g/mol
LogP2.17
Rot. Bonds

About 2,3-dimethylbicyclo[2.2.0]hexa-1,3,5-triene;methylcarbamic acid

2,3-dimethylbicyclo[2.2.0]hexa-1,3,5-triene;methylcarbamic acid (PubChem CID 70266137) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 2,3-dimethylbicyclo[2.2.0]hexa-1,3,5-triene;methylcarbamic acid.

Molecular Properties

Compound Name2,3-dimethylbicyclo[2.2.0]hexa-1,3,5-triene;methylcarbamic acid
PubChem CID70266137
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name2,3-dimethylbicyclo[2.2.0]hexa-1,3,5-triene;methylcarbamic acid
SMILESCNC(=O)O.Cc1c2ccc-2c1C
InChIInChI=1S/C8H8.C2H5NO2/c1-5-6(2)8-4-3-7(5)8;1-3-2(4)5/h3-4H,1-2H3;3H,1H3,(H,4,5)
InChIKeyUOHUOURUMLDOQD-UHFFFAOYSA-N
XLogP2.17
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylbicyclo[2.2.0]hexa-1,3,5-triene;methylcarbamic acid?
The IUPAC name of 2,3-dimethylbicyclo[2.2.0]hexa-1,3,5-triene;methylcarbamic acid (CID 70266137) is 2,3-dimethylbicyclo[2.2.0]hexa-1,3,5-triene;methylcarbamic acid.
What is the SMILES notation for 2,3-dimethylbicyclo[2.2.0]hexa-1,3,5-triene;methylcarbamic acid?
The canonical SMILES for 2,3-dimethylbicyclo[2.2.0]hexa-1,3,5-triene;methylcarbamic acid is CNC(=O)O.Cc1c2ccc-2c1C.
What is the InChIKey of 2,3-dimethylbicyclo[2.2.0]hexa-1,3,5-triene;methylcarbamic acid?
The InChIKey is UOHUOURUMLDOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8.C2H5NO2/c1-5-6(2)8-4-3-7(5)8;1-3-2(4)5/h3-4H,1-2H3;3H,1H3,(H,4,5).
What are the key properties of 2,3-dimethylbicyclo[2.2.0]hexa-1,3,5-triene;methylcarbamic acid?
2,3-dimethylbicyclo[2.2.0]hexa-1,3,5-triene;methylcarbamic acid has a molecular weight of 179.22 g/mol, XLogP of 2.17, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylbicyclo[2.2.0]hexa-1,3,5-triene;methylcarbamic acid is sourced from PubChem (CID 70266137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).