3-[1-(2,3-dichloroprop-2-enyl)pyrrolidin-2-yl]propan-1-ol

C10H17Cl2NO — CID 79172688

IUPAC3-[1-(2,3-dichloroprop-2-enyl)pyrrolidin-2-yl]propan-1-ol
SMILESOCCCC1CCCN1CC(Cl)=CCl
InChIInChI=1S/C10H17Cl2NO/c11-7-9(12)8-13-5-1-3-10(13)4-2-6-14/h7,10,14H,1-6,8H2
InChIKeyQUNXEOHFQQUODW-UHFFFAOYSA-N
MW238.16 g/mol
LogP2.54
Rot. Bonds5

About 3-[1-(2,3-dichloroprop-2-enyl)pyrrolidin-2-yl]propan-1-ol

3-[1-(2,3-dichloroprop-2-enyl)pyrrolidin-2-yl]propan-1-ol (PubChem CID 79172688) has the molecular formula C10H17Cl2NO and a molecular weight of 238.16 g/mol. Its IUPAC name is 3-[1-(2,3-dichloroprop-2-enyl)pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-(2,3-dichloroprop-2-enyl)pyrrolidin-2-yl]propan-1-ol
PubChem CID79172688
Molecular FormulaC10H17Cl2NO
Molecular Weight238.16 g/mol
Exact Mass237.07
IUPAC Name3-[1-(2,3-dichloroprop-2-enyl)pyrrolidin-2-yl]propan-1-ol
SMILESOCCCC1CCCN1CC(Cl)=CCl
InChIInChI=1S/C10H17Cl2NO/c11-7-9(12)8-13-5-1-3-10(13)4-2-6-14/h7,10,14H,1-6,8H2
InChIKeyQUNXEOHFQQUODW-UHFFFAOYSA-N
XLogP2.54
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.16
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,3-dichloroprop-2-enyl)pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-(2,3-dichloroprop-2-enyl)pyrrolidin-2-yl]propan-1-ol (CID 79172688) is 3-[1-(2,3-dichloroprop-2-enyl)pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-(2,3-dichloroprop-2-enyl)pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-(2,3-dichloroprop-2-enyl)pyrrolidin-2-yl]propan-1-ol is OCCCC1CCCN1CC(Cl)=CCl.
What is the InChIKey of 3-[1-(2,3-dichloroprop-2-enyl)pyrrolidin-2-yl]propan-1-ol?
The InChIKey is QUNXEOHFQQUODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17Cl2NO/c11-7-9(12)8-13-5-1-3-10(13)4-2-6-14/h7,10,14H,1-6,8H2.
What are the key properties of 3-[1-(2,3-dichloroprop-2-enyl)pyrrolidin-2-yl]propan-1-ol?
3-[1-(2,3-dichloroprop-2-enyl)pyrrolidin-2-yl]propan-1-ol has a molecular weight of 238.16 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,3-dichloroprop-2-enyl)pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 79172688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).