[2-(2,3-dichloroprop-2-enylamino)cyclopentyl]methanol

C9H15Cl2NO — CID 106360754

IUPAC[2-(2,3-dichloroprop-2-enylamino)cyclopentyl]methanol
SMILESOCC1CCCC1NCC(Cl)=CCl
InChIInChI=1S/C9H15Cl2NO/c10-4-8(11)5-12-9-3-1-2-7(9)6-13/h4,7,9,12-13H,1-3,5-6H2
InChIKeyPEVCKRSKMUOUFU-UHFFFAOYSA-N
MW224.13 g/mol
LogP2.06
Rot. Bonds4

About [2-(2,3-dichloroprop-2-enylamino)cyclopentyl]methanol

[2-(2,3-dichloroprop-2-enylamino)cyclopentyl]methanol (PubChem CID 106360754) has the molecular formula C9H15Cl2NO and a molecular weight of 224.13 g/mol. Its IUPAC name is [2-(2,3-dichloroprop-2-enylamino)cyclopentyl]methanol.

Molecular Properties

Compound Name[2-(2,3-dichloroprop-2-enylamino)cyclopentyl]methanol
PubChem CID106360754
Molecular FormulaC9H15Cl2NO
Molecular Weight224.13 g/mol
Exact Mass223.05
IUPAC Name[2-(2,3-dichloroprop-2-enylamino)cyclopentyl]methanol
SMILESOCC1CCCC1NCC(Cl)=CCl
InChIInChI=1S/C9H15Cl2NO/c10-4-8(11)5-12-9-3-1-2-7(9)6-13/h4,7,9,12-13H,1-3,5-6H2
InChIKeyPEVCKRSKMUOUFU-UHFFFAOYSA-N
XLogP2.06
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.13
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dichloroprop-2-enyl)-2-ethylcyclohexan-1-amine
CID 79167923
[2-[(3-chloro-2-methylprop-2-enyl)amino]cyclopentyl]methanol
CID 106438361
[2-[[(E)-but-2-enyl]amino]cyclopentyl]methanol
CID 106360609
N-cyclohexyl-2-[[2-(hydroxymethyl)cyclohexyl]amino]acetamide
CID 104934417
2-[[(1R,2S)-2-(hydroxymethyl)cyclopentyl]amino]ethanol
CID 131230127
4-[[2-(hydroxymethyl)cyclopentyl]amino]-3-methylbut-2-enoic acid
CID 106362470
N-(4-chlorophenyl)-2-[[2-(hydroxymethyl)cyclopentyl]amino]acetamide
CID 106360931
2-[[2-(hydroxymethyl)cyclopentyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 106360968
(E)-4-[[2-(hydroxymethyl)cyclopentyl]amino]but-2-enoic acid
CID 106362463
2-[[2-(hydroxymethyl)cyclohexyl]amino]-N-(2-methylbutan-2-yl)acetamide
CID 104934416
2-[[2-(hydroxymethyl)cyclopentyl]amino]-N-pentan-2-ylacetamide
CID 106360724
[(1S)-2-(methylamino)cyclopentyl]methanol
CID 123545278

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dichloroprop-2-enylamino)cyclopentyl]methanol?
The IUPAC name of [2-(2,3-dichloroprop-2-enylamino)cyclopentyl]methanol (CID 106360754) is [2-(2,3-dichloroprop-2-enylamino)cyclopentyl]methanol.
What is the SMILES notation for [2-(2,3-dichloroprop-2-enylamino)cyclopentyl]methanol?
The canonical SMILES for [2-(2,3-dichloroprop-2-enylamino)cyclopentyl]methanol is OCC1CCCC1NCC(Cl)=CCl.
What is the InChIKey of [2-(2,3-dichloroprop-2-enylamino)cyclopentyl]methanol?
The InChIKey is PEVCKRSKMUOUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15Cl2NO/c10-4-8(11)5-12-9-3-1-2-7(9)6-13/h4,7,9,12-13H,1-3,5-6H2.
What are the key properties of [2-(2,3-dichloroprop-2-enylamino)cyclopentyl]methanol?
[2-(2,3-dichloroprop-2-enylamino)cyclopentyl]methanol has a molecular weight of 224.13 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dichloroprop-2-enylamino)cyclopentyl]methanol is sourced from PubChem (CID 106360754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).