[1-(2-bromoprop-2-enyl)azepan-2-yl]methanol

C10H18BrNO — CID 116637627

IUPAC[1-(2-bromoprop-2-enyl)azepan-2-yl]methanol
SMILESC=C(Br)CN1CCCCCC1CO
InChIInChI=1S/C10H18BrNO/c1-9(11)7-12-6-4-2-3-5-10(12)8-13/h10,13H,1-8H2
InChIKeyPIJMQOBWORFPKS-UHFFFAOYSA-N
MW248.16 g/mol
LogP2.13
Rot. Bonds3

About [1-(2-bromoprop-2-enyl)azepan-2-yl]methanol

[1-(2-bromoprop-2-enyl)azepan-2-yl]methanol (PubChem CID 116637627) has the molecular formula C10H18BrNO and a molecular weight of 248.16 g/mol. Its IUPAC name is [1-(2-bromoprop-2-enyl)azepan-2-yl]methanol.

Molecular Properties

Compound Name[1-(2-bromoprop-2-enyl)azepan-2-yl]methanol
PubChem CID116637627
Molecular FormulaC10H18BrNO
Molecular Weight248.16 g/mol
Exact Mass247.06
IUPAC Name[1-(2-bromoprop-2-enyl)azepan-2-yl]methanol
SMILESC=C(Br)CN1CCCCCC1CO
InChIInChI=1S/C10H18BrNO/c1-9(11)7-12-6-4-2-3-5-10(12)8-13/h10,13H,1-8H2
InChIKeyPIJMQOBWORFPKS-UHFFFAOYSA-N
XLogP2.13
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.16
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(2-bromoprop-2-enyl)azepan-2-yl]methanol?
The IUPAC name of [1-(2-bromoprop-2-enyl)azepan-2-yl]methanol (CID 116637627) is [1-(2-bromoprop-2-enyl)azepan-2-yl]methanol.
What is the SMILES notation for [1-(2-bromoprop-2-enyl)azepan-2-yl]methanol?
The canonical SMILES for [1-(2-bromoprop-2-enyl)azepan-2-yl]methanol is C=C(Br)CN1CCCCCC1CO.
What is the InChIKey of [1-(2-bromoprop-2-enyl)azepan-2-yl]methanol?
The InChIKey is PIJMQOBWORFPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrNO/c1-9(11)7-12-6-4-2-3-5-10(12)8-13/h10,13H,1-8H2.
What are the key properties of [1-(2-bromoprop-2-enyl)azepan-2-yl]methanol?
[1-(2-bromoprop-2-enyl)azepan-2-yl]methanol has a molecular weight of 248.16 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-bromoprop-2-enyl)azepan-2-yl]methanol is sourced from PubChem (CID 116637627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).