3-[1-(4-chlorobutyl)pyrrolidin-2-yl]propan-1-ol

C11H22ClNO — CID 62469039

IUPAC3-[1-(4-chlorobutyl)pyrrolidin-2-yl]propan-1-ol
SMILESOCCCC1CCCN1CCCCCl
InChIInChI=1S/C11H22ClNO/c12-7-1-2-8-13-9-3-5-11(13)6-4-10-14/h11,14H,1-10H2
InChIKeyGSEGZCMWDQQJJF-UHFFFAOYSA-N
MW219.76 g/mol
LogP2.24
Rot. Bonds7

About 3-[1-(4-chlorobutyl)pyrrolidin-2-yl]propan-1-ol

3-[1-(4-chlorobutyl)pyrrolidin-2-yl]propan-1-ol (PubChem CID 62469039) has the molecular formula C11H22ClNO and a molecular weight of 219.76 g/mol. Its IUPAC name is 3-[1-(4-chlorobutyl)pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-(4-chlorobutyl)pyrrolidin-2-yl]propan-1-ol
PubChem CID62469039
Molecular FormulaC11H22ClNO
Molecular Weight219.76 g/mol
Exact Mass219.14
IUPAC Name3-[1-(4-chlorobutyl)pyrrolidin-2-yl]propan-1-ol
SMILESOCCCC1CCCN1CCCCCl
InChIInChI=1S/C11H22ClNO/c12-7-1-2-8-13-9-3-5-11(13)6-4-10-14/h11,14H,1-10H2
InChIKeyGSEGZCMWDQQJJF-UHFFFAOYSA-N
XLogP2.24
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.76
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-chlorobutyl)pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-(4-chlorobutyl)pyrrolidin-2-yl]propan-1-ol (CID 62469039) is 3-[1-(4-chlorobutyl)pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-(4-chlorobutyl)pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-(4-chlorobutyl)pyrrolidin-2-yl]propan-1-ol is OCCCC1CCCN1CCCCCl.
What is the InChIKey of 3-[1-(4-chlorobutyl)pyrrolidin-2-yl]propan-1-ol?
The InChIKey is GSEGZCMWDQQJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22ClNO/c12-7-1-2-8-13-9-3-5-11(13)6-4-10-14/h11,14H,1-10H2.
What are the key properties of 3-[1-(4-chlorobutyl)pyrrolidin-2-yl]propan-1-ol?
3-[1-(4-chlorobutyl)pyrrolidin-2-yl]propan-1-ol has a molecular weight of 219.76 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-chlorobutyl)pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 62469039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).