1-isocyano-1-methylcyclooctane

C10H17N — CID 163971778

IUPAC1-isocyano-1-methylcyclooctane
SMILES[C-]#[N+]C1(C)CCCCCCC1
InChIInChI=1S/C10H17N/c1-10(11-2)8-6-4-3-5-7-9-10/h3-9H2,1H3
InChIKeySQOYLDVCZBFZMS-UHFFFAOYSA-N
MW151.25 g/mol
LogP3.41
Rot. Bonds

About 1-isocyano-1-methylcyclooctane

1-isocyano-1-methylcyclooctane (PubChem CID 163971778) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 1-isocyano-1-methylcyclooctane.

Molecular Properties

Compound Name1-isocyano-1-methylcyclooctane
PubChem CID163971778
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name1-isocyano-1-methylcyclooctane
SMILES[C-]#[N+]C1(C)CCCCCCC1
InChIInChI=1S/C10H17N/c1-10(11-2)8-6-4-3-5-7-9-10/h3-9H2,1H3
InChIKeySQOYLDVCZBFZMS-UHFFFAOYSA-N
XLogP3.41
TPSA4.36 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-isocyano-1-methylcyclooctane?
The IUPAC name of 1-isocyano-1-methylcyclooctane (CID 163971778) is 1-isocyano-1-methylcyclooctane.
What is the SMILES notation for 1-isocyano-1-methylcyclooctane?
The canonical SMILES for 1-isocyano-1-methylcyclooctane is [C-]#[N+]C1(C)CCCCCCC1.
What is the InChIKey of 1-isocyano-1-methylcyclooctane?
The InChIKey is SQOYLDVCZBFZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-10(11-2)8-6-4-3-5-7-9-10/h3-9H2,1H3.
What are the key properties of 1-isocyano-1-methylcyclooctane?
1-isocyano-1-methylcyclooctane has a molecular weight of 151.25 g/mol, XLogP of 3.41, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-isocyano-1-methylcyclooctane is sourced from PubChem (CID 163971778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).