2-(1-prop-2-enylpyrrolidin-2-yl)cyclopentan-1-ol

C12H21NO — CID 114339174

IUPAC2-(1-prop-2-enylpyrrolidin-2-yl)cyclopentan-1-ol
SMILESC=CCN1CCCC1C1CCCC1O
InChIInChI=1S/C12H21NO/c1-2-8-13-9-4-6-11(13)10-5-3-7-12(10)14/h2,10-12,14H,1,3-9H2
InChIKeyDSCZVYQFMWWSNW-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.80
Rot. Bonds3

About 2-(1-prop-2-enylpyrrolidin-2-yl)cyclopentan-1-ol

2-(1-prop-2-enylpyrrolidin-2-yl)cyclopentan-1-ol (PubChem CID 114339174) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 2-(1-prop-2-enylpyrrolidin-2-yl)cyclopentan-1-ol.

Molecular Properties

Compound Name2-(1-prop-2-enylpyrrolidin-2-yl)cyclopentan-1-ol
PubChem CID114339174
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name2-(1-prop-2-enylpyrrolidin-2-yl)cyclopentan-1-ol
SMILESC=CCN1CCCC1C1CCCC1O
InChIInChI=1S/C12H21NO/c1-2-8-13-9-4-6-11(13)10-5-3-7-12(10)14/h2,10-12,14H,1,3-9H2
InChIKeyDSCZVYQFMWWSNW-UHFFFAOYSA-N
XLogP1.80
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.80
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-(1-prop-2-enylpyrrolidin-2-yl)cyclopentan-1-ol?
The IUPAC name of 2-(1-prop-2-enylpyrrolidin-2-yl)cyclopentan-1-ol (CID 114339174) is 2-(1-prop-2-enylpyrrolidin-2-yl)cyclopentan-1-ol.
What is the SMILES notation for 2-(1-prop-2-enylpyrrolidin-2-yl)cyclopentan-1-ol?
The canonical SMILES for 2-(1-prop-2-enylpyrrolidin-2-yl)cyclopentan-1-ol is C=CCN1CCCC1C1CCCC1O.
What is the InChIKey of 2-(1-prop-2-enylpyrrolidin-2-yl)cyclopentan-1-ol?
The InChIKey is DSCZVYQFMWWSNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-2-8-13-9-4-6-11(13)10-5-3-7-12(10)14/h2,10-12,14H,1,3-9H2.
What are the key properties of 2-(1-prop-2-enylpyrrolidin-2-yl)cyclopentan-1-ol?
2-(1-prop-2-enylpyrrolidin-2-yl)cyclopentan-1-ol has a molecular weight of 195.31 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-prop-2-enylpyrrolidin-2-yl)cyclopentan-1-ol is sourced from PubChem (CID 114339174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).