3-(cyclopentylmethyl)-1,5-dimethylpyrrolidin-3-ol

C12H23NO — CID 81467530

IUPAC3-(cyclopentylmethyl)-1,5-dimethylpyrrolidin-3-ol
SMILESCC1CC(O)(CC2CCCC2)CN1C
InChIInChI=1S/C12H23NO/c1-10-7-12(14,9-13(10)2)8-11-5-3-4-6-11/h10-11,14H,3-9H2,1-2H3
InChIKeyDAVWTAZWSYTXTP-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.02
Rot. Bonds2

About 3-(cyclopentylmethyl)-1,5-dimethylpyrrolidin-3-ol

3-(cyclopentylmethyl)-1,5-dimethylpyrrolidin-3-ol (PubChem CID 81467530) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 3-(cyclopentylmethyl)-1,5-dimethylpyrrolidin-3-ol.

Molecular Properties

Compound Name3-(cyclopentylmethyl)-1,5-dimethylpyrrolidin-3-ol
PubChem CID81467530
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name3-(cyclopentylmethyl)-1,5-dimethylpyrrolidin-3-ol
SMILESCC1CC(O)(CC2CCCC2)CN1C
InChIInChI=1S/C12H23NO/c1-10-7-12(14,9-13(10)2)8-11-5-3-4-6-11/h10-11,14H,3-9H2,1-2H3
InChIKeyDAVWTAZWSYTXTP-UHFFFAOYSA-N
XLogP2.02
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylmethyl)-1,5-dimethylpyrrolidin-3-ol?
The IUPAC name of 3-(cyclopentylmethyl)-1,5-dimethylpyrrolidin-3-ol (CID 81467530) is 3-(cyclopentylmethyl)-1,5-dimethylpyrrolidin-3-ol.
What is the SMILES notation for 3-(cyclopentylmethyl)-1,5-dimethylpyrrolidin-3-ol?
The canonical SMILES for 3-(cyclopentylmethyl)-1,5-dimethylpyrrolidin-3-ol is CC1CC(O)(CC2CCCC2)CN1C.
What is the InChIKey of 3-(cyclopentylmethyl)-1,5-dimethylpyrrolidin-3-ol?
The InChIKey is DAVWTAZWSYTXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-10-7-12(14,9-13(10)2)8-11-5-3-4-6-11/h10-11,14H,3-9H2,1-2H3.
What are the key properties of 3-(cyclopentylmethyl)-1,5-dimethylpyrrolidin-3-ol?
3-(cyclopentylmethyl)-1,5-dimethylpyrrolidin-3-ol has a molecular weight of 197.32 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylmethyl)-1,5-dimethylpyrrolidin-3-ol is sourced from PubChem (CID 81467530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).