2-(2,5-dihydropyrrol-1-ylmethyl)cyclopentan-1-ol

C10H17NO — CID 104550149

IUPAC2-(2,5-dihydropyrrol-1-ylmethyl)cyclopentan-1-ol
SMILESOC1CCCC1CN1CC=CC1
InChIInChI=1S/C10H17NO/c12-10-5-3-4-9(10)8-11-6-1-2-7-11/h1-2,9-10,12H,3-8H2
InChIKeyYHYOFTRWTKFTBL-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.02
Rot. Bonds2

About 2-(2,5-dihydropyrrol-1-ylmethyl)cyclopentan-1-ol

2-(2,5-dihydropyrrol-1-ylmethyl)cyclopentan-1-ol (PubChem CID 104550149) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 2-(2,5-dihydropyrrol-1-ylmethyl)cyclopentan-1-ol.

Molecular Properties

Compound Name2-(2,5-dihydropyrrol-1-ylmethyl)cyclopentan-1-ol
PubChem CID104550149
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name2-(2,5-dihydropyrrol-1-ylmethyl)cyclopentan-1-ol
SMILESOC1CCCC1CN1CC=CC1
InChIInChI=1S/C10H17NO/c12-10-5-3-4-9(10)8-11-6-1-2-7-11/h1-2,9-10,12H,3-8H2
InChIKeyYHYOFTRWTKFTBL-UHFFFAOYSA-N
XLogP1.02
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dihydropyrrol-1-ylmethyl)cyclopentan-1-ol?
The IUPAC name of 2-(2,5-dihydropyrrol-1-ylmethyl)cyclopentan-1-ol (CID 104550149) is 2-(2,5-dihydropyrrol-1-ylmethyl)cyclopentan-1-ol.
What is the SMILES notation for 2-(2,5-dihydropyrrol-1-ylmethyl)cyclopentan-1-ol?
The canonical SMILES for 2-(2,5-dihydropyrrol-1-ylmethyl)cyclopentan-1-ol is OC1CCCC1CN1CC=CC1.
What is the InChIKey of 2-(2,5-dihydropyrrol-1-ylmethyl)cyclopentan-1-ol?
The InChIKey is YHYOFTRWTKFTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c12-10-5-3-4-9(10)8-11-6-1-2-7-11/h1-2,9-10,12H,3-8H2.
What are the key properties of 2-(2,5-dihydropyrrol-1-ylmethyl)cyclopentan-1-ol?
2-(2,5-dihydropyrrol-1-ylmethyl)cyclopentan-1-ol has a molecular weight of 167.25 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dihydropyrrol-1-ylmethyl)cyclopentan-1-ol is sourced from PubChem (CID 104550149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).