1-(2,3-dichloroprop-2-enyl)-3-methylpyrrolidin-3-ol

C8H13Cl2NO — CID 103774523

IUPAC1-(2,3-dichloroprop-2-enyl)-3-methylpyrrolidin-3-ol
SMILESCC1(O)CCN(CC(Cl)=CCl)C1
InChIInChI=1S/C8H13Cl2NO/c1-8(12)2-3-11(6-8)5-7(10)4-9/h4,12H,2-3,5-6H2,1H3
InChIKeyAOTIKPFPUSHNEK-UHFFFAOYSA-N
MW210.10 g/mol
LogP1.76
Rot. Bonds2

About 1-(2,3-dichloroprop-2-enyl)-3-methylpyrrolidin-3-ol

1-(2,3-dichloroprop-2-enyl)-3-methylpyrrolidin-3-ol (PubChem CID 103774523) has the molecular formula C8H13Cl2NO and a molecular weight of 210.10 g/mol. Its IUPAC name is 1-(2,3-dichloroprop-2-enyl)-3-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-(2,3-dichloroprop-2-enyl)-3-methylpyrrolidin-3-ol
PubChem CID103774523
Molecular FormulaC8H13Cl2NO
Molecular Weight210.10 g/mol
Exact Mass209.04
IUPAC Name1-(2,3-dichloroprop-2-enyl)-3-methylpyrrolidin-3-ol
SMILESCC1(O)CCN(CC(Cl)=CCl)C1
InChIInChI=1S/C8H13Cl2NO/c1-8(12)2-3-11(6-8)5-7(10)4-9/h4,12H,2-3,5-6H2,1H3
InChIKeyAOTIKPFPUSHNEK-UHFFFAOYSA-N
XLogP1.76
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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-(2,3-dichloroprop-2-enyl)-4-methylpiperidin-4-ol
CID 81002351
1-(3-chloro-2-methylprop-2-enyl)-4-methylpiperidin-4-ol
CID 106439879
1-(iodomethyl)-3-methylpyrrolidin-3-ol
CID 171074388
N-cyclopropyl-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide
CID 103728808
N,N-diethyl-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide
CID 103728785
2-(3-hydroxy-3-methylpyrrolidin-1-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 103897872
1-[(4-fluorophenyl)methyl]-3-methylpyrrolidin-3-ol
CID 103728801
N-cyclopropyl-N-ethyl-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide
CID 103728655
methyl N-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetyl]carbamate
CID 103728689
N-[(4-chlorophenyl)methyl]-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide
CID 103728803
1-(4-fluorophenyl)-3-(3-hydroxy-3-methylpyrrolidin-1-yl)propan-2-one
CID 103356858
3-methyl-1-(pyridin-4-ylmethyl)pyrrolidin-3-ol
CID 103729349

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichloroprop-2-enyl)-3-methylpyrrolidin-3-ol?
The IUPAC name of 1-(2,3-dichloroprop-2-enyl)-3-methylpyrrolidin-3-ol (CID 103774523) is 1-(2,3-dichloroprop-2-enyl)-3-methylpyrrolidin-3-ol.
What is the SMILES notation for 1-(2,3-dichloroprop-2-enyl)-3-methylpyrrolidin-3-ol?
The canonical SMILES for 1-(2,3-dichloroprop-2-enyl)-3-methylpyrrolidin-3-ol is CC1(O)CCN(CC(Cl)=CCl)C1.
What is the InChIKey of 1-(2,3-dichloroprop-2-enyl)-3-methylpyrrolidin-3-ol?
The InChIKey is AOTIKPFPUSHNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13Cl2NO/c1-8(12)2-3-11(6-8)5-7(10)4-9/h4,12H,2-3,5-6H2,1H3.
What are the key properties of 1-(2,3-dichloroprop-2-enyl)-3-methylpyrrolidin-3-ol?
1-(2,3-dichloroprop-2-enyl)-3-methylpyrrolidin-3-ol has a molecular weight of 210.10 g/mol, XLogP of 1.76, 2 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)-3-methylpyrrolidin-3-ol is sourced from PubChem (CID 103774523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).