[1-[(2,3-dichloroprop-2-enylamino)methyl]cyclopentyl]methanol

C10H17Cl2NO — CID 115359482

IUPAC[1-[(2,3-dichloroprop-2-enylamino)methyl]cyclopentyl]methanol
SMILESOCC1(CNCC(Cl)=CCl)CCCC1
InChIInChI=1S/C10H17Cl2NO/c11-5-9(12)6-13-7-10(8-14)3-1-2-4-10/h5,13-14H,1-4,6-8H2
InChIKeyRTNKUYZTKOZLDO-UHFFFAOYSA-N
MW238.16 g/mol
LogP2.45
Rot. Bonds5

About [1-[(2,3-dichloroprop-2-enylamino)methyl]cyclopentyl]methanol

[1-[(2,3-dichloroprop-2-enylamino)methyl]cyclopentyl]methanol (PubChem CID 115359482) has the molecular formula C10H17Cl2NO and a molecular weight of 238.16 g/mol. Its IUPAC name is [1-[(2,3-dichloroprop-2-enylamino)methyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-[(2,3-dichloroprop-2-enylamino)methyl]cyclopentyl]methanol
PubChem CID115359482
Molecular FormulaC10H17Cl2NO
Molecular Weight238.16 g/mol
Exact Mass237.07
IUPAC Name[1-[(2,3-dichloroprop-2-enylamino)methyl]cyclopentyl]methanol
SMILESOCC1(CNCC(Cl)=CCl)CCCC1
InChIInChI=1S/C10H17Cl2NO/c11-5-9(12)6-13-7-10(8-14)3-1-2-4-10/h5,13-14H,1-4,6-8H2
InChIKeyRTNKUYZTKOZLDO-UHFFFAOYSA-N
XLogP2.45
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.16
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2,3-dichloroprop-2-enylamino)methyl]cyclohexan-1-ol
CID 79167559
methyl 2-[[1-(hydroxymethyl)cyclopentyl]methylamino]acetate
CID 115359540
methyl 2-[[1-(hydroxymethyl)cyclohexyl]methylamino]acetate
CID 81411374
N-cyclohexyl-2-[[1-(hydroxymethyl)cyclopentyl]methylamino]acetamide
CID 115359623
N-cyclohexyl-2-[[1-(hydroxymethyl)cyclohexyl]methylamino]acetamide
CID 103966529
1-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]cycloheptan-1-ol
CID 115359618
N,N-diethyl-2-[[1-(hydroxymethyl)cyclopentyl]methylamino]acetamide
CID 113293782
[1-[(2-ethylbutylamino)methyl]cyclohexyl]methanol
CID 112703676
[1-[(but-3-enylamino)methyl]cyclohexyl]methanol
CID 103966311
2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-N-propylacetamide
CID 115359705
N-[[1-(hydroxymethyl)cyclopentyl]methyl]adamantane-1-carboxamide
CID 110642345
[1-(hydroxymethyl)cyclopentyl]methylcarbamic acid
CID 66597374

Frequently Asked Questions

What is the IUPAC name of [1-[(2,3-dichloroprop-2-enylamino)methyl]cyclopentyl]methanol?
The IUPAC name of [1-[(2,3-dichloroprop-2-enylamino)methyl]cyclopentyl]methanol (CID 115359482) is [1-[(2,3-dichloroprop-2-enylamino)methyl]cyclopentyl]methanol.
What is the SMILES notation for [1-[(2,3-dichloroprop-2-enylamino)methyl]cyclopentyl]methanol?
The canonical SMILES for [1-[(2,3-dichloroprop-2-enylamino)methyl]cyclopentyl]methanol is OCC1(CNCC(Cl)=CCl)CCCC1.
What is the InChIKey of [1-[(2,3-dichloroprop-2-enylamino)methyl]cyclopentyl]methanol?
The InChIKey is RTNKUYZTKOZLDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17Cl2NO/c11-5-9(12)6-13-7-10(8-14)3-1-2-4-10/h5,13-14H,1-4,6-8H2.
What are the key properties of [1-[(2,3-dichloroprop-2-enylamino)methyl]cyclopentyl]methanol?
[1-[(2,3-dichloroprop-2-enylamino)methyl]cyclopentyl]methanol has a molecular weight of 238.16 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2,3-dichloroprop-2-enylamino)methyl]cyclopentyl]methanol is sourced from PubChem (CID 115359482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).