[2-(dimethylamino)cyclopentyl] acetate

C9H17NO2 — CID 59356687

IUPAC[2-(dimethylamino)cyclopentyl] acetate
SMILESCC(=O)OC1CCCC1N(C)C
InChIInChI=1S/C9H17NO2/c1-7(11)12-9-6-4-5-8(9)10(2)3/h8-9H,4-6H2,1-3H3
InChIKeyWTAIYCMEDVBOFF-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.03
Rot. Bonds2

About [2-(dimethylamino)cyclopentyl] acetate

[2-(dimethylamino)cyclopentyl] acetate (PubChem CID 59356687) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is [2-(dimethylamino)cyclopentyl] acetate.

Molecular Properties

Compound Name[2-(dimethylamino)cyclopentyl] acetate
PubChem CID59356687
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name[2-(dimethylamino)cyclopentyl] acetate
SMILESCC(=O)OC1CCCC1N(C)C
InChIInChI=1S/C9H17NO2/c1-7(11)12-9-6-4-5-8(9)10(2)3/h8-9H,4-6H2,1-3H3
InChIKeyWTAIYCMEDVBOFF-UHFFFAOYSA-N
XLogP1.03
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)cyclopentyl] acetate?
The IUPAC name of [2-(dimethylamino)cyclopentyl] acetate (CID 59356687) is [2-(dimethylamino)cyclopentyl] acetate.
What is the SMILES notation for [2-(dimethylamino)cyclopentyl] acetate?
The canonical SMILES for [2-(dimethylamino)cyclopentyl] acetate is CC(=O)OC1CCCC1N(C)C.
What is the InChIKey of [2-(dimethylamino)cyclopentyl] acetate?
The InChIKey is WTAIYCMEDVBOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-7(11)12-9-6-4-5-8(9)10(2)3/h8-9H,4-6H2,1-3H3.
What are the key properties of [2-(dimethylamino)cyclopentyl] acetate?
[2-(dimethylamino)cyclopentyl] acetate has a molecular weight of 171.24 g/mol, XLogP of 1.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)cyclopentyl] acetate is sourced from PubChem (CID 59356687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).