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

C10H17Cl2NO — CID 103839094

IUPAC1-[1-(2,3-dichloroprop-2-enyl)pyrrolidin-2-yl]propan-2-ol
SMILESCC(O)CC1CCCN1CC(Cl)=CCl
InChIInChI=1S/C10H17Cl2NO/c1-8(14)5-10-3-2-4-13(10)7-9(12)6-11/h6,8,10,14H,2-5,7H2,1H3
InChIKeyBSWGFLADPDDKCY-UHFFFAOYSA-N
MW238.16 g/mol
LogP2.54
Rot. Bonds4

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

1-[1-(2,3-dichloroprop-2-enyl)pyrrolidin-2-yl]propan-2-ol (PubChem CID 103839094) has the molecular formula C10H17Cl2NO and a molecular weight of 238.16 g/mol. Its IUPAC name is 1-[1-(2,3-dichloroprop-2-enyl)pyrrolidin-2-yl]propan-2-ol.

Molecular Properties

Compound Name1-[1-(2,3-dichloroprop-2-enyl)pyrrolidin-2-yl]propan-2-ol
PubChem CID103839094
Molecular FormulaC10H17Cl2NO
Molecular Weight238.16 g/mol
Exact Mass237.07
IUPAC Name1-[1-(2,3-dichloroprop-2-enyl)pyrrolidin-2-yl]propan-2-ol
SMILESCC(O)CC1CCCN1CC(Cl)=CCl
InChIInChI=1S/C10H17Cl2NO/c1-8(14)5-10-3-2-4-13(10)7-9(12)6-11/h6,8,10,14H,2-5,7H2,1H3
InChIKeyBSWGFLADPDDKCY-UHFFFAOYSA-N
XLogP2.54
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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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Related Compounds

1-[1-(3-Chloropropyl)pyrrolidin-2-yl]propan-2-ol
CID 141179965
3-[1-(2-Chloroprop-2-enyl)pyrrolidin-2-yl]propan-1-ol
CID 62469225
3-[1-(2,3-Dichloroprop-2-enyl)pyrrolidin-2-yl]propan-1-ol
CID 79172688
8-(2,3-Dichloroprop-2-enyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 79172895
1-[1-(2,3-Dichloroprop-2-enyl)piperidin-2-yl]propan-2-ol
CID 104893914
1-[1-(2,3-Dichloroprop-2-enyl)azepan-2-yl]propan-2-ol
CID 104893915
3-[1-(3-Chloro-2-methylprop-2-enyl)pyrrolidin-2-yl]propan-1-ol
CID 106439857
1-[1-(3-Chloro-2-methylprop-2-enyl)pyrrolidin-2-yl]propan-2-ol
CID 106440949
1-[1-[(E)-3-chloroprop-2-enyl]pyrrolidin-2-yl]propan-2-ol
CID 112417133
1-[1-(2-Chloroprop-2-enyl)pyrrolidin-2-yl]propan-2-ol
CID 112417749
1-[1-(2-Methylprop-2-enyl)pyrrolidin-2-yl]propan-2-ol
CID 115758733
1-(1-Prop-2-enylpyrrolidin-2-yl)propan-2-ol
CID 115758751

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,3-dichloroprop-2-enyl)pyrrolidin-2-yl]propan-2-ol?
The IUPAC name of 1-[1-(2,3-dichloroprop-2-enyl)pyrrolidin-2-yl]propan-2-ol (CID 103839094) is 1-[1-(2,3-dichloroprop-2-enyl)pyrrolidin-2-yl]propan-2-ol.
What is the SMILES notation for 1-[1-(2,3-dichloroprop-2-enyl)pyrrolidin-2-yl]propan-2-ol?
The canonical SMILES for 1-[1-(2,3-dichloroprop-2-enyl)pyrrolidin-2-yl]propan-2-ol is CC(O)CC1CCCN1CC(Cl)=CCl.
What is the InChIKey of 1-[1-(2,3-dichloroprop-2-enyl)pyrrolidin-2-yl]propan-2-ol?
The InChIKey is BSWGFLADPDDKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17Cl2NO/c1-8(14)5-10-3-2-4-13(10)7-9(12)6-11/h6,8,10,14H,2-5,7H2,1H3.
What are the key properties of 1-[1-(2,3-dichloroprop-2-enyl)pyrrolidin-2-yl]propan-2-ol?
1-[1-(2,3-dichloroprop-2-enyl)pyrrolidin-2-yl]propan-2-ol has a molecular weight of 238.16 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,3-dichloroprop-2-enyl)pyrrolidin-2-yl]propan-2-ol is sourced from PubChem (CID 103839094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).