1-[(3-bromo-1H-indol-6-yl)methyl]cyclopropan-1-ol

C12H12BrNO — CID 117419095

IUPAC1-[(3-bromo-1H-indol-6-yl)methyl]cyclopropan-1-ol
SMILESOC1(Cc2ccc3c(Br)c[nH]c3c2)CC1
InChIInChI=1S/C12H12BrNO/c13-10-7-14-11-5-8(1-2-9(10)11)6-12(15)3-4-12/h1-2,5,7,14-15H,3-4,6H2
InChIKeyJSZHZZXFYVEACU-UHFFFAOYSA-N
MW266.14 g/mol
LogP3.00
Rot. Bonds2

About 1-[(3-bromo-1H-indol-6-yl)methyl]cyclopropan-1-ol

1-[(3-bromo-1H-indol-6-yl)methyl]cyclopropan-1-ol (PubChem CID 117419095) has the molecular formula C12H12BrNO and a molecular weight of 266.14 g/mol. Its IUPAC name is 1-[(3-bromo-1H-indol-6-yl)methyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[(3-bromo-1H-indol-6-yl)methyl]cyclopropan-1-ol
PubChem CID117419095
Molecular FormulaC12H12BrNO
Molecular Weight266.14 g/mol
Exact Mass265.01
IUPAC Name1-[(3-bromo-1H-indol-6-yl)methyl]cyclopropan-1-ol
SMILESOC1(Cc2ccc3c(Br)c[nH]c3c2)CC1
InChIInChI=1S/C12H12BrNO/c13-10-7-14-11-5-8(1-2-9(10)11)6-12(15)3-4-12/h1-2,5,7,14-15H,3-4,6H2
InChIKeyJSZHZZXFYVEACU-UHFFFAOYSA-N
XLogP3.00
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.14
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromo-1H-indol-6-yl)methyl]cyclopropan-1-ol?
The IUPAC name of 1-[(3-bromo-1H-indol-6-yl)methyl]cyclopropan-1-ol (CID 117419095) is 1-[(3-bromo-1H-indol-6-yl)methyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[(3-bromo-1H-indol-6-yl)methyl]cyclopropan-1-ol?
The canonical SMILES for 1-[(3-bromo-1H-indol-6-yl)methyl]cyclopropan-1-ol is OC1(Cc2ccc3c(Br)c[nH]c3c2)CC1.
What is the InChIKey of 1-[(3-bromo-1H-indol-6-yl)methyl]cyclopropan-1-ol?
The InChIKey is JSZHZZXFYVEACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNO/c13-10-7-14-11-5-8(1-2-9(10)11)6-12(15)3-4-12/h1-2,5,7,14-15H,3-4,6H2.
What are the key properties of 1-[(3-bromo-1H-indol-6-yl)methyl]cyclopropan-1-ol?
1-[(3-bromo-1H-indol-6-yl)methyl]cyclopropan-1-ol has a molecular weight of 266.14 g/mol, XLogP of 3.00, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromo-1H-indol-6-yl)methyl]cyclopropan-1-ol is sourced from PubChem (CID 117419095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).