3-[1-[2-(chloromethyl)prop-2-enyl]pyrrolidin-2-yl]propan-1-ol

C11H20ClNO — CID 103067813

IUPAC3-[1-[2-(chloromethyl)prop-2-enyl]pyrrolidin-2-yl]propan-1-ol
SMILESC=C(CCl)CN1CCCC1CCCO
InChIInChI=1S/C11H20ClNO/c1-10(8-12)9-13-6-2-4-11(13)5-3-7-14/h11,14H,1-9H2
InChIKeyGUHPMARQKIPYLV-UHFFFAOYSA-N
MW217.74 g/mol
LogP2.02
Rot. Bonds6

About 3-[1-[2-(chloromethyl)prop-2-enyl]pyrrolidin-2-yl]propan-1-ol

3-[1-[2-(chloromethyl)prop-2-enyl]pyrrolidin-2-yl]propan-1-ol (PubChem CID 103067813) has the molecular formula C11H20ClNO and a molecular weight of 217.74 g/mol. Its IUPAC name is 3-[1-[2-(chloromethyl)prop-2-enyl]pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-[2-(chloromethyl)prop-2-enyl]pyrrolidin-2-yl]propan-1-ol
PubChem CID103067813
Molecular FormulaC11H20ClNO
Molecular Weight217.74 g/mol
Exact Mass217.12
IUPAC Name3-[1-[2-(chloromethyl)prop-2-enyl]pyrrolidin-2-yl]propan-1-ol
SMILESC=C(CCl)CN1CCCC1CCCO
InChIInChI=1S/C11H20ClNO/c1-10(8-12)9-13-6-2-4-11(13)5-3-7-14/h11,14H,1-9H2
InChIKeyGUHPMARQKIPYLV-UHFFFAOYSA-N
XLogP2.02
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.74
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[1-[2-(chloromethyl)prop-2-enyl]pyrrolidin-2-yl]propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[1-(6-Chlorohexyl)pyrrolidin-2-yl]propan-1-ol
CID 62468711
3-[1-(3-Chloropropyl)pyrrolidin-2-yl]propan-1-ol
CID 62468867
3-[1-(5-Chloropentyl)pyrrolidin-2-yl]propan-1-ol
CID 62469037
3-[1-(4-Chlorobutyl)pyrrolidin-2-yl]propan-1-ol
CID 62469039
3-[1-[(E)-3-chloroprop-2-enyl]pyrrolidin-2-yl]propan-1-ol
CID 62469057
3-[1-(3-Methylbut-2-enyl)pyrrolidin-2-yl]propan-1-ol
CID 62469058
3-[1-(2-Methylprop-2-enyl)pyrrolidin-2-yl]propan-1-ol
CID 62469223
3-[1-(2-Chloroprop-2-enyl)pyrrolidin-2-yl]propan-1-ol
CID 62469225
3-[1-(3-Chloro-2-methylpropyl)pyrrolidin-2-yl]propan-1-ol
CID 64232329
3-[1-(2-Methylidenebutyl)pyrrolidin-2-yl]propan-1-ol
CID 66039019
3-[1-(3-Chloroprop-2-enyl)pyrrolidin-2-yl]propan-1-ol
CID 76944010
3-[1-(4-Chlorobut-2-enyl)pyrrolidin-2-yl]propan-1-ol
CID 77051413

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(chloromethyl)prop-2-enyl]pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-[2-(chloromethyl)prop-2-enyl]pyrrolidin-2-yl]propan-1-ol (CID 103067813) is 3-[1-[2-(chloromethyl)prop-2-enyl]pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-[2-(chloromethyl)prop-2-enyl]pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-[2-(chloromethyl)prop-2-enyl]pyrrolidin-2-yl]propan-1-ol is C=C(CCl)CN1CCCC1CCCO.
What is the InChIKey of 3-[1-[2-(chloromethyl)prop-2-enyl]pyrrolidin-2-yl]propan-1-ol?
The InChIKey is GUHPMARQKIPYLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClNO/c1-10(8-12)9-13-6-2-4-11(13)5-3-7-14/h11,14H,1-9H2.
What are the key properties of 3-[1-[2-(chloromethyl)prop-2-enyl]pyrrolidin-2-yl]propan-1-ol?
3-[1-[2-(chloromethyl)prop-2-enyl]pyrrolidin-2-yl]propan-1-ol has a molecular weight of 217.74 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(chloromethyl)prop-2-enyl]pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 103067813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).