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

C10H17Cl2NO — CID 104891627

IUPAC[1-(2,3-dichloroprop-2-enyl)azepan-2-yl]methanol
SMILESOCC1CCCCCN1CC(Cl)=CCl
InChIInChI=1S/C10H17Cl2NO/c11-6-9(12)7-13-5-3-1-2-4-10(13)8-14/h6,10,14H,1-5,7-8H2
InChIKeyAYVLVQDAXPIUBU-UHFFFAOYSA-N
MW238.16 g/mol
LogP2.54
Rot. Bonds3

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

[1-(2,3-dichloroprop-2-enyl)azepan-2-yl]methanol (PubChem CID 104891627) has the molecular formula C10H17Cl2NO and a molecular weight of 238.16 g/mol. Its IUPAC name is [1-(2,3-dichloroprop-2-enyl)azepan-2-yl]methanol.

Molecular Properties

Compound Name[1-(2,3-dichloroprop-2-enyl)azepan-2-yl]methanol
PubChem CID104891627
Molecular FormulaC10H17Cl2NO
Molecular Weight238.16 g/mol
Exact Mass237.07
IUPAC Name[1-(2,3-dichloroprop-2-enyl)azepan-2-yl]methanol
SMILESOCC1CCCCCN1CC(Cl)=CCl
InChIInChI=1S/C10H17Cl2NO/c11-6-9(12)7-13-5-3-1-2-4-10(13)8-14/h6,10,14H,1-5,7-8H2
InChIKeyAYVLVQDAXPIUBU-UHFFFAOYSA-N
XLogP2.54
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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

3-[1-(2,3-Dichloroprop-2-enyl)pyrrolidin-2-yl]propan-1-ol
CID 79172688
[1-(2,3-Dichloroprop-2-enyl)piperidin-2-yl]methanol
CID 79173393
2-[1-(2,3-Dichloroprop-2-enyl)piperidin-2-yl]ethanol
CID 79173594
[1-[2-(Chloromethyl)prop-2-enyl]azepan-2-yl]methanol
CID 103067978
1-[1-(2,3-Dichloroprop-2-enyl)azepan-2-yl]propan-2-ol
CID 104893915
[1-(3-Chloro-2-methylprop-2-enyl)azepan-2-yl]methanol
CID 106439893
[1-(3-Chloropropyl)azepan-2-yl]methanol
CID 116637097
[1-(2-Chloroethyl)azepan-2-yl]methanol
CID 116637100
[1-[(E)-4-chlorobut-2-enyl]azepan-2-yl]methanol
CID 116637125
[1-(2-Chloroprop-2-enyl)azepan-2-yl]methanol
CID 116637498
[1-[(E)-3-chloroprop-2-enyl]azepan-2-yl]methanol
CID 116637587
[1-[(Z)-2,3-dichloroprop-2-enyl]piperidin-2-yl]methanol
CID 133625356

Frequently Asked Questions

What is the IUPAC name of [1-(2,3-dichloroprop-2-enyl)azepan-2-yl]methanol?
The IUPAC name of [1-(2,3-dichloroprop-2-enyl)azepan-2-yl]methanol (CID 104891627) is [1-(2,3-dichloroprop-2-enyl)azepan-2-yl]methanol.
What is the SMILES notation for [1-(2,3-dichloroprop-2-enyl)azepan-2-yl]methanol?
The canonical SMILES for [1-(2,3-dichloroprop-2-enyl)azepan-2-yl]methanol is OCC1CCCCCN1CC(Cl)=CCl.
What is the InChIKey of [1-(2,3-dichloroprop-2-enyl)azepan-2-yl]methanol?
The InChIKey is AYVLVQDAXPIUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17Cl2NO/c11-6-9(12)7-13-5-3-1-2-4-10(13)8-14/h6,10,14H,1-5,7-8H2.
What are the key properties of [1-(2,3-dichloroprop-2-enyl)azepan-2-yl]methanol?
[1-(2,3-dichloroprop-2-enyl)azepan-2-yl]methanol has a molecular weight of 238.16 g/mol, XLogP of 2.54, 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)azepan-2-yl]methanol is sourced from PubChem (CID 104891627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).