1-(3-bromo-1-methylindol-5-yl)cyclopropan-1-ol

C12H12BrNO — CID 117419101

IUPAC1-(3-bromo-1-methylindol-5-yl)cyclopropan-1-ol
SMILESCn1cc(Br)c2cc(C3(O)CC3)ccc21
InChIInChI=1S/C12H12BrNO/c1-14-7-10(13)9-6-8(2-3-11(9)14)12(15)4-5-12/h2-3,6-7,15H,4-5H2,1H3
InChIKeyDMGGRNNWIXPSSQ-UHFFFAOYSA-N
MW266.14 g/mol
LogP2.92
Rot. Bonds1

About 1-(3-bromo-1-methylindol-5-yl)cyclopropan-1-ol

1-(3-bromo-1-methylindol-5-yl)cyclopropan-1-ol (PubChem CID 117419101) has the molecular formula C12H12BrNO and a molecular weight of 266.14 g/mol. Its IUPAC name is 1-(3-bromo-1-methylindol-5-yl)cyclopropan-1-ol.

Molecular Properties

Compound Name1-(3-bromo-1-methylindol-5-yl)cyclopropan-1-ol
PubChem CID117419101
Molecular FormulaC12H12BrNO
Molecular Weight266.14 g/mol
Exact Mass265.01
IUPAC Name1-(3-bromo-1-methylindol-5-yl)cyclopropan-1-ol
SMILESCn1cc(Br)c2cc(C3(O)CC3)ccc21
InChIInChI=1S/C12H12BrNO/c1-14-7-10(13)9-6-8(2-3-11(9)14)12(15)4-5-12/h2-3,6-7,15H,4-5H2,1H3
InChIKeyDMGGRNNWIXPSSQ-UHFFFAOYSA-N
XLogP2.92
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.14
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1,3-dimethylindol-5-yl)cyclopropan-1-ol
CID 117290218
3-bromo-1-methylindole
CID 13357736
3-bromo-5-methoxy-1-methylindole
CID 67003649
2-bromo-5-(1-hydroxycyclopropyl)phenol
CID 84792504
1-[3-bromo-4-(dimethylamino)phenyl]cyclopropan-1-ol
CID 117393248
1-(3-chloro-1-methylindol-5-yl)cyclopropane-1-carboxylic acid
CID 117377902
2-(3-bromo-1-methylindol-5-yl)-N-methylethanamine
CID 83902666
1-(3-bromo-4-pentan-3-ylphenyl)cyclopropan-1-ol
CID 117455081
1-(3-chloro-1-methylindol-5-yl)cyclopentane-1-carboxylic acid
CID 117445299
1-(5-bromo-1-methylindol-3-yl)cyclopropan-1-amine
CID 82667140
3-bromo-N,1-dimethylindole-6-carboxamide
CID 170838828
ethane;1-(4-methylphenyl)cyclopropan-1-ol
CID 178045850

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-1-methylindol-5-yl)cyclopropan-1-ol?
The IUPAC name of 1-(3-bromo-1-methylindol-5-yl)cyclopropan-1-ol (CID 117419101) is 1-(3-bromo-1-methylindol-5-yl)cyclopropan-1-ol.
What is the SMILES notation for 1-(3-bromo-1-methylindol-5-yl)cyclopropan-1-ol?
The canonical SMILES for 1-(3-bromo-1-methylindol-5-yl)cyclopropan-1-ol is Cn1cc(Br)c2cc(C3(O)CC3)ccc21.
What is the InChIKey of 1-(3-bromo-1-methylindol-5-yl)cyclopropan-1-ol?
The InChIKey is DMGGRNNWIXPSSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNO/c1-14-7-10(13)9-6-8(2-3-11(9)14)12(15)4-5-12/h2-3,6-7,15H,4-5H2,1H3.
What are the key properties of 1-(3-bromo-1-methylindol-5-yl)cyclopropan-1-ol?
1-(3-bromo-1-methylindol-5-yl)cyclopropan-1-ol has a molecular weight of 266.14 g/mol, XLogP of 2.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-1-methylindol-5-yl)cyclopropan-1-ol is sourced from PubChem (CID 117419101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).