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

C8H13Cl2NO — CID 79174008

IUPAC[1-(2,3-dichloroprop-2-enyl)pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1CC(Cl)=CCl
InChIInChI=1S/C8H13Cl2NO/c9-4-7(10)5-11-3-1-2-8(11)6-12/h4,8,12H,1-3,5-6H2
InChIKeyROWCNOZNGXHWRX-UHFFFAOYSA-N
MW210.10 g/mol
LogP1.76
Rot. Bonds3

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

[1-(2,3-dichloroprop-2-enyl)pyrrolidin-2-yl]methanol (PubChem CID 79174008) has the molecular formula C8H13Cl2NO and a molecular weight of 210.10 g/mol. Its IUPAC name is [1-(2,3-dichloroprop-2-enyl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(2,3-dichloroprop-2-enyl)pyrrolidin-2-yl]methanol
PubChem CID79174008
Molecular FormulaC8H13Cl2NO
Molecular Weight210.10 g/mol
Exact Mass209.04
IUPAC Name[1-(2,3-dichloroprop-2-enyl)pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1CC(Cl)=CCl
InChIInChI=1S/C8H13Cl2NO/c9-4-7(10)5-11-3-1-2-8(11)6-12/h4,8,12H,1-3,5-6H2
InChIKeyROWCNOZNGXHWRX-UHFFFAOYSA-N
XLogP1.76
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.10
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[(Z)-2,3-dichloroprop-2-enyl]pyrrolidin-2-yl]methanol
CID 131347178
2-[1-(2,3-dichloroprop-2-enyl)piperidin-2-yl]ethanol
CID 79173594
1-[1-(2,3-dichloroprop-2-enyl)piperidin-2-yl]propan-2-ol
CID 104893914
[1-[[1-(2-chloroprop-2-enyl)pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol
CID 111781116
2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 14799157
[(2S)-1-(2-methylidenebutyl)pyrrolidin-2-yl]methanol
CID 66261614
[1-(sulfanylmethyl)pyrrolidin-2-yl]methanol
CID 143677973
[1-[5-[2-(hydroxymethyl)pyrrolidin-1-yl]pentyl]pyrrolidin-2-yl]methanol
CID 111448331
N-cyclohexyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 78942542
N-cycloheptyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 78942509
1-(azepan-1-yl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 62013945
[1-[2-(chloromethyl)prop-2-enyl]azepan-2-yl]methanol
CID 103067978

Frequently Asked Questions

What is the IUPAC name of [1-(2,3-dichloroprop-2-enyl)pyrrolidin-2-yl]methanol?
The IUPAC name of [1-(2,3-dichloroprop-2-enyl)pyrrolidin-2-yl]methanol (CID 79174008) is [1-(2,3-dichloroprop-2-enyl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-(2,3-dichloroprop-2-enyl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-(2,3-dichloroprop-2-enyl)pyrrolidin-2-yl]methanol is OCC1CCCN1CC(Cl)=CCl.
What is the InChIKey of [1-(2,3-dichloroprop-2-enyl)pyrrolidin-2-yl]methanol?
The InChIKey is ROWCNOZNGXHWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13Cl2NO/c9-4-7(10)5-11-3-1-2-8(11)6-12/h4,8,12H,1-3,5-6H2.
What are the key properties of [1-(2,3-dichloroprop-2-enyl)pyrrolidin-2-yl]methanol?
[1-(2,3-dichloroprop-2-enyl)pyrrolidin-2-yl]methanol has a molecular weight of 210.10 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,3-dichloroprop-2-enyl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 79174008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).