cyclohexyl 2-pyrrolidin-2-ylacetate

C12H21NO2 — CID 61372710

IUPACcyclohexyl 2-pyrrolidin-2-ylacetate
SMILESO=C(CC1CCCN1)OC1CCCCC1
InChIInChI=1S/C12H21NO2/c14-12(9-10-5-4-8-13-10)15-11-6-2-1-3-7-11/h10-11,13H,1-9H2
InChIKeyVSVBTSBIYRNGPS-UHFFFAOYSA-N
MW211.30 g/mol
LogP2.00
Rot. Bonds3

About cyclohexyl 2-pyrrolidin-2-ylacetate

cyclohexyl 2-pyrrolidin-2-ylacetate (PubChem CID 61372710) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is cyclohexyl 2-pyrrolidin-2-ylacetate.

Molecular Properties

Compound Namecyclohexyl 2-pyrrolidin-2-ylacetate
PubChem CID61372710
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Namecyclohexyl 2-pyrrolidin-2-ylacetate
SMILESO=C(CC1CCCN1)OC1CCCCC1
InChIInChI=1S/C12H21NO2/c14-12(9-10-5-4-8-13-10)15-11-6-2-1-3-7-11/h10-11,13H,1-9H2
InChIKeyVSVBTSBIYRNGPS-UHFFFAOYSA-N
XLogP2.00
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopentyl 3-piperidin-2-ylpropanoate
CID 62215567
cyclopentyl 2-thiomorpholin-3-ylacetate
CID 66445864
methyl 2-(azocan-2-yl)acetate
CID 86040521
cyclopentylmethyl 2-pyrrolidin-2-ylacetate
CID 66323077
ethane;methyl 2-piperidin-2-ylacetate
CID 168986004
cyclopentyl 2-cyclohexylacetate;hydrochloride
CID 174567498
2-[(2R)-azepan-2-yl]acetic acid
CID 96634576
1-(azocan-2-yl)-3-methylbutan-2-one
CID 130491231
N-(2-cyclohexyloxyethyl)-2-pyrrolidin-2-ylacetamide
CID 63826362
1-[(2R)-azepan-2-yl]propan-2-one
CID 97048950
1-cyclopentyl-2-pyrrolidin-2-ylethanone
CID 79538692
cycloheptyl (2R)-piperidine-2-carboxylate
CID 79034969

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 2-pyrrolidin-2-ylacetate?
The IUPAC name of cyclohexyl 2-pyrrolidin-2-ylacetate (CID 61372710) is cyclohexyl 2-pyrrolidin-2-ylacetate.
What is the SMILES notation for cyclohexyl 2-pyrrolidin-2-ylacetate?
The canonical SMILES for cyclohexyl 2-pyrrolidin-2-ylacetate is O=C(CC1CCCN1)OC1CCCCC1.
What is the InChIKey of cyclohexyl 2-pyrrolidin-2-ylacetate?
The InChIKey is VSVBTSBIYRNGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c14-12(9-10-5-4-8-13-10)15-11-6-2-1-3-7-11/h10-11,13H,1-9H2.
What are the key properties of cyclohexyl 2-pyrrolidin-2-ylacetate?
cyclohexyl 2-pyrrolidin-2-ylacetate has a molecular weight of 211.30 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 2-pyrrolidin-2-ylacetate is sourced from PubChem (CID 61372710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).