(1-isocyanocyclopropyl)cycloheptane

C11H17N — CID 84764726

IUPAC(1-isocyanocyclopropyl)cycloheptane
SMILES[C-]#[N+]C1(C2CCCCCC2)CC1
InChIInChI=1S/C11H17N/c1-12-11(8-9-11)10-6-4-2-3-5-7-10/h10H,2-9H2
InChIKeyFDXQCOXRJHEYEZ-UHFFFAOYSA-N
MW163.26 g/mol
LogP3.41
Rot. Bonds1

About (1-isocyanocyclopropyl)cycloheptane

(1-isocyanocyclopropyl)cycloheptane (PubChem CID 84764726) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is (1-isocyanocyclopropyl)cycloheptane.

Molecular Properties

Compound Name(1-isocyanocyclopropyl)cycloheptane
PubChem CID84764726
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name(1-isocyanocyclopropyl)cycloheptane
SMILES[C-]#[N+]C1(C2CCCCCC2)CC1
InChIInChI=1S/C11H17N/c1-12-11(8-9-11)10-6-4-2-3-5-7-10/h10H,2-9H2
InChIKeyFDXQCOXRJHEYEZ-UHFFFAOYSA-N
XLogP3.41
TPSA4.36 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
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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Related Compounds

1-cyclooctylcyclooctan-1-amine
CID 19973273
1,1-di(cyclooctyl)cyclooctane
CID 23107007
N-(1-isocyanocyclobutyl)cyclohexanamine
CID 123251847
1-cyclododecyl-2-cyclohexyl-3-cyclopentylcyclopentadecane-1,2,3-triamine
CID 151791002
1-cyclopentyl-1-(1-cyclopentylcyclobutyl)cyclohexane
CID 175602198
1-cyclohexyl-1-ethynylcyclohexane
CID 175496127
(1-methylcyclopentyl)cyclohexane
CID 13217819
(1-cyclopropylcyclopropyl)cyclopentane
CID 57169070
isocyanocyclododecane
CID 2757985
1-[(E)-2-chloroethenyl]-1-cyclohexylcyclohexane
CID 23186292
(1-isocyano-2-methylcyclopropyl)cyclobutane
CID 84762443
(1S,6R)-bicyclo[4.1.0]heptan-1-amine
CID 124660494

Frequently Asked Questions

What is the IUPAC name of (1-isocyanocyclopropyl)cycloheptane?
The IUPAC name of (1-isocyanocyclopropyl)cycloheptane (CID 84764726) is (1-isocyanocyclopropyl)cycloheptane.
What is the SMILES notation for (1-isocyanocyclopropyl)cycloheptane?
The canonical SMILES for (1-isocyanocyclopropyl)cycloheptane is [C-]#[N+]C1(C2CCCCCC2)CC1.
What is the InChIKey of (1-isocyanocyclopropyl)cycloheptane?
The InChIKey is FDXQCOXRJHEYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-12-11(8-9-11)10-6-4-2-3-5-7-10/h10H,2-9H2.
What are the key properties of (1-isocyanocyclopropyl)cycloheptane?
(1-isocyanocyclopropyl)cycloheptane has a molecular weight of 163.26 g/mol, XLogP of 3.41, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1-isocyanocyclopropyl)cycloheptane is sourced from PubChem (CID 84764726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).