3-(1-pentylpyrrolidin-2-yl)propan-1-ol

C12H25NO — CID 62467787

IUPAC3-(1-pentylpyrrolidin-2-yl)propan-1-ol
SMILESCCCCCN1CCCC1CCCO
InChIInChI=1S/C12H25NO/c1-2-3-4-9-13-10-5-7-12(13)8-6-11-14/h12,14H,2-11H2,1H3
InChIKeyHTUDWAMULASBRK-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.41
Rot. Bonds7

About 3-(1-pentylpyrrolidin-2-yl)propan-1-ol

3-(1-pentylpyrrolidin-2-yl)propan-1-ol (PubChem CID 62467787) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 3-(1-pentylpyrrolidin-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-(1-pentylpyrrolidin-2-yl)propan-1-ol
PubChem CID62467787
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name3-(1-pentylpyrrolidin-2-yl)propan-1-ol
SMILESCCCCCN1CCCC1CCCO
InChIInChI=1S/C12H25NO/c1-2-3-4-9-13-10-5-7-12(13)8-6-11-14/h12,14H,2-11H2,1H3
InChIKeyHTUDWAMULASBRK-UHFFFAOYSA-N
XLogP2.41
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(1-pentylpyrrolidin-2-yl)propan-1-ol?
The IUPAC name of 3-(1-pentylpyrrolidin-2-yl)propan-1-ol (CID 62467787) is 3-(1-pentylpyrrolidin-2-yl)propan-1-ol.
What is the SMILES notation for 3-(1-pentylpyrrolidin-2-yl)propan-1-ol?
The canonical SMILES for 3-(1-pentylpyrrolidin-2-yl)propan-1-ol is CCCCCN1CCCC1CCCO.
What is the InChIKey of 3-(1-pentylpyrrolidin-2-yl)propan-1-ol?
The InChIKey is HTUDWAMULASBRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-2-3-4-9-13-10-5-7-12(13)8-6-11-14/h12,14H,2-11H2,1H3.
What are the key properties of 3-(1-pentylpyrrolidin-2-yl)propan-1-ol?
3-(1-pentylpyrrolidin-2-yl)propan-1-ol has a molecular weight of 199.34 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-pentylpyrrolidin-2-yl)propan-1-ol is sourced from PubChem (CID 62467787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).