[2-(dimethylamino)cyclopentyl] formate

C8H15NO2 — CID 57240129

IUPAC[2-(dimethylamino)cyclopentyl] formate
SMILESCN(C)C1CCCC1OC=O
InChIInChI=1S/C8H15NO2/c1-9(2)7-4-3-5-8(7)11-6-10/h6-8H,3-5H2,1-2H3
InChIKeyXSITYUPFLPOYAT-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.64
Rot. Bonds3

About [2-(dimethylamino)cyclopentyl] formate

[2-(dimethylamino)cyclopentyl] formate (PubChem CID 57240129) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is [2-(dimethylamino)cyclopentyl] formate.

Molecular Properties

Compound Name[2-(dimethylamino)cyclopentyl] formate
PubChem CID57240129
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name[2-(dimethylamino)cyclopentyl] formate
SMILESCN(C)C1CCCC1OC=O
InChIInChI=1S/C8H15NO2/c1-9(2)7-4-3-5-8(7)11-6-10/h6-8H,3-5H2,1-2H3
InChIKeyXSITYUPFLPOYAT-UHFFFAOYSA-N
XLogP0.64
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)cyclopentyl] formate?
The IUPAC name of [2-(dimethylamino)cyclopentyl] formate (CID 57240129) is [2-(dimethylamino)cyclopentyl] formate.
What is the SMILES notation for [2-(dimethylamino)cyclopentyl] formate?
The canonical SMILES for [2-(dimethylamino)cyclopentyl] formate is CN(C)C1CCCC1OC=O.
What is the InChIKey of [2-(dimethylamino)cyclopentyl] formate?
The InChIKey is XSITYUPFLPOYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-9(2)7-4-3-5-8(7)11-6-10/h6-8H,3-5H2,1-2H3.
What are the key properties of [2-(dimethylamino)cyclopentyl] formate?
[2-(dimethylamino)cyclopentyl] formate has a molecular weight of 157.21 g/mol, XLogP of 0.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)cyclopentyl] formate is sourced from PubChem (CID 57240129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).