1-cyclopropyl-3-hexylpyrrolidin-3-ol

C13H25NO — CID 65145661

IUPAC1-cyclopropyl-3-hexylpyrrolidin-3-ol
SMILESCCCCCCC1(O)CCN(C2CC2)C1
InChIInChI=1S/C13H25NO/c1-2-3-4-5-8-13(15)9-10-14(11-13)12-6-7-12/h12,15H,2-11H2,1H3
InChIKeyKWPRDKKHABUGEN-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.56
Rot. Bonds6

About 1-cyclopropyl-3-hexylpyrrolidin-3-ol

1-cyclopropyl-3-hexylpyrrolidin-3-ol (PubChem CID 65145661) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-cyclopropyl-3-hexylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-cyclopropyl-3-hexylpyrrolidin-3-ol
PubChem CID65145661
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name1-cyclopropyl-3-hexylpyrrolidin-3-ol
SMILESCCCCCCC1(O)CCN(C2CC2)C1
InChIInChI=1S/C13H25NO/c1-2-3-4-5-8-13(15)9-10-14(11-13)12-6-7-12/h12,15H,2-11H2,1H3
InChIKeyKWPRDKKHABUGEN-UHFFFAOYSA-N
XLogP2.56
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.56
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 1-cyclopropyl-3-hexylpyrrolidin-3-ol?
The IUPAC name of 1-cyclopropyl-3-hexylpyrrolidin-3-ol (CID 65145661) is 1-cyclopropyl-3-hexylpyrrolidin-3-ol.
What is the SMILES notation for 1-cyclopropyl-3-hexylpyrrolidin-3-ol?
The canonical SMILES for 1-cyclopropyl-3-hexylpyrrolidin-3-ol is CCCCCCC1(O)CCN(C2CC2)C1.
What is the InChIKey of 1-cyclopropyl-3-hexylpyrrolidin-3-ol?
The InChIKey is KWPRDKKHABUGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-2-3-4-5-8-13(15)9-10-14(11-13)12-6-7-12/h12,15H,2-11H2,1H3.
What are the key properties of 1-cyclopropyl-3-hexylpyrrolidin-3-ol?
1-cyclopropyl-3-hexylpyrrolidin-3-ol has a molecular weight of 211.35 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-hexylpyrrolidin-3-ol is sourced from PubChem (CID 65145661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).