(2-ethyl-4-methylcyclopentyl)methyl cyanate

C10H17NO — CID 139298599

IUPAC(2-ethyl-4-methylcyclopentyl)methyl cyanate
SMILESCCC1CC(C)CC1COC#N
InChIInChI=1S/C10H17NO/c1-3-9-4-8(2)5-10(9)6-12-7-11/h8-10H,3-6H2,1-2H3
InChIKeyCIGJRLPCIXNKMG-UHFFFAOYSA-N
MW167.25 g/mol
LogP2.56
Rot. Bonds3

About (2-ethyl-4-methylcyclopentyl)methyl cyanate

(2-ethyl-4-methylcyclopentyl)methyl cyanate (PubChem CID 139298599) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (2-ethyl-4-methylcyclopentyl)methyl cyanate.

Molecular Properties

Compound Name(2-ethyl-4-methylcyclopentyl)methyl cyanate
PubChem CID139298599
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(2-ethyl-4-methylcyclopentyl)methyl cyanate
SMILESCCC1CC(C)CC1COC#N
InChIInChI=1S/C10H17NO/c1-3-9-4-8(2)5-10(9)6-12-7-11/h8-10H,3-6H2,1-2H3
InChIKeyCIGJRLPCIXNKMG-UHFFFAOYSA-N
XLogP2.56
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-ethyl-4-methylcyclopentyl)methyl cyanate?
The IUPAC name of (2-ethyl-4-methylcyclopentyl)methyl cyanate (CID 139298599) is (2-ethyl-4-methylcyclopentyl)methyl cyanate.
What is the SMILES notation for (2-ethyl-4-methylcyclopentyl)methyl cyanate?
The canonical SMILES for (2-ethyl-4-methylcyclopentyl)methyl cyanate is CCC1CC(C)CC1COC#N.
What is the InChIKey of (2-ethyl-4-methylcyclopentyl)methyl cyanate?
The InChIKey is CIGJRLPCIXNKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-3-9-4-8(2)5-10(9)6-12-7-11/h8-10H,3-6H2,1-2H3.
What are the key properties of (2-ethyl-4-methylcyclopentyl)methyl cyanate?
(2-ethyl-4-methylcyclopentyl)methyl cyanate has a molecular weight of 167.25 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-4-methylcyclopentyl)methyl cyanate is sourced from PubChem (CID 139298599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).