2,3-diisocyanato-7-methylbicyclo[2.2.1]heptane

C10H12N2O2 — CID 71371898

IUPAC2,3-diisocyanato-7-methylbicyclo[2.2.1]heptane
SMILESCC1C2CCC1C(N=C=O)C2N=C=O
InChIInChI=1S/C10H12N2O2/c1-6-7-2-3-8(6)10(12-5-14)9(7)11-4-13/h6-10H,2-3H2,1H3
InChIKeyYLXKGIZZJOUCHP-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.07
Rot. Bonds2

About 2,3-diisocyanato-7-methylbicyclo[2.2.1]heptane

2,3-diisocyanato-7-methylbicyclo[2.2.1]heptane (PubChem CID 71371898) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 2,3-diisocyanato-7-methylbicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2,3-diisocyanato-7-methylbicyclo[2.2.1]heptane
PubChem CID71371898
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name2,3-diisocyanato-7-methylbicyclo[2.2.1]heptane
SMILESCC1C2CCC1C(N=C=O)C2N=C=O
InChIInChI=1S/C10H12N2O2/c1-6-7-2-3-8(6)10(12-5-14)9(7)11-4-13/h6-10H,2-3H2,1H3
InChIKeyYLXKGIZZJOUCHP-UHFFFAOYSA-N
XLogP1.07
TPSA58.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}

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Related Compounds

Norbornanediisocyanate
CID 22239392
2,3-Diisocyanato-5-methylbicyclo[2.2.1]heptane
CID 21988089
2,5-Diisocyanatobicyclo[2.2.1]heptane
CID 22728339
2,3-Diisocyanatobicyclo[2.2.1]heptane
CID 23434500
2,3-Diisocyanato-2-methylbicyclo[2.2.1]heptane
CID 57034076
2,3-Diisocyanato-1-methylbicyclo[2.2.1]heptane
CID 87391329
2,3-Diisocyanato-1,7,7-trimethylbicyclo[2.2.1]heptane
CID 87531887
1,2-Diisocyanato-2-methylbicyclo[2.2.1]heptane
CID 140467097
1,2-Diisocyanato-7,7-dimethylbicyclo[2.2.1]heptane
CID 141057691
2-Isocyanato-6-(isocyanatomethyl)bicyclo[2.2.1]heptane
CID 147969467
2-Isocyanato-5-(isocyanatomethyl)bicyclo[2.2.1]heptane
CID 154977534
2-Isocyanatobicyclo[2.2.1]heptane;methylimino(oxo)methane
CID 159041291

Frequently Asked Questions

What is the IUPAC name of 2,3-diisocyanato-7-methylbicyclo[2.2.1]heptane?
The IUPAC name of 2,3-diisocyanato-7-methylbicyclo[2.2.1]heptane (CID 71371898) is 2,3-diisocyanato-7-methylbicyclo[2.2.1]heptane.
What is the SMILES notation for 2,3-diisocyanato-7-methylbicyclo[2.2.1]heptane?
The canonical SMILES for 2,3-diisocyanato-7-methylbicyclo[2.2.1]heptane is CC1C2CCC1C(N=C=O)C2N=C=O.
What is the InChIKey of 2,3-diisocyanato-7-methylbicyclo[2.2.1]heptane?
The InChIKey is YLXKGIZZJOUCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-6-7-2-3-8(6)10(12-5-14)9(7)11-4-13/h6-10H,2-3H2,1H3.
What are the key properties of 2,3-diisocyanato-7-methylbicyclo[2.2.1]heptane?
2,3-diisocyanato-7-methylbicyclo[2.2.1]heptane has a molecular weight of 192.22 g/mol, XLogP of 1.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diisocyanato-7-methylbicyclo[2.2.1]heptane is sourced from PubChem (CID 71371898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).