1,2-dimethylidenecyclohexane;isocyanic acid

C10H14N2O2 — CID 88613388

IUPAC1,2-dimethylidenecyclohexane;isocyanic acid
SMILESC=C1CCCCC1=C.N=C=O.N=C=O
InChIInChI=1S/C8H12.2CHNO/c1-7-5-3-4-6-8(7)2;2*2-1-3/h1-6H2;2*2H
InChIKeyMYNCOJHHZBXFBZ-UHFFFAOYSA-N
MW194.23 g/mol
LogP2.47
Rot. Bonds

About 1,2-dimethylidenecyclohexane;isocyanic acid

1,2-dimethylidenecyclohexane;isocyanic acid (PubChem CID 88613388) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 1,2-dimethylidenecyclohexane;isocyanic acid.

Molecular Properties

Compound Name1,2-dimethylidenecyclohexane;isocyanic acid
PubChem CID88613388
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name1,2-dimethylidenecyclohexane;isocyanic acid
SMILESC=C1CCCCC1=C.N=C=O.N=C=O
InChIInChI=1S/C8H12.2CHNO/c1-7-5-3-4-6-8(7)2;2*2-1-3/h1-6H2;2*2H
InChIKeyMYNCOJHHZBXFBZ-UHFFFAOYSA-N
XLogP2.47
TPSA81.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 52.47
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethylidenecyclohexane;isocyanic acid?
The IUPAC name of 1,2-dimethylidenecyclohexane;isocyanic acid (CID 88613388) is 1,2-dimethylidenecyclohexane;isocyanic acid.
What is the SMILES notation for 1,2-dimethylidenecyclohexane;isocyanic acid?
The canonical SMILES for 1,2-dimethylidenecyclohexane;isocyanic acid is C=C1CCCCC1=C.N=C=O.N=C=O.
What is the InChIKey of 1,2-dimethylidenecyclohexane;isocyanic acid?
The InChIKey is MYNCOJHHZBXFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12.2CHNO/c1-7-5-3-4-6-8(7)2;2*2-1-3/h1-6H2;2*2H.
What are the key properties of 1,2-dimethylidenecyclohexane;isocyanic acid?
1,2-dimethylidenecyclohexane;isocyanic acid has a molecular weight of 194.23 g/mol, XLogP of 2.47, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethylidenecyclohexane;isocyanic acid is sourced from PubChem (CID 88613388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).