1-[(3-methyl-1H-indol-5-yl)methyl]cyclopropan-1-ol

C13H15NO — CID 117290213

IUPAC1-[(3-methyl-1H-indol-5-yl)methyl]cyclopropan-1-ol
SMILESCc1c[nH]c2ccc(CC3(O)CC3)cc12
InChIInChI=1S/C13H15NO/c1-9-8-14-12-3-2-10(6-11(9)12)7-13(15)4-5-13/h2-3,6,8,14-15H,4-5,7H2,1H3
InChIKeyYQSMEOJYFCFEFL-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.54
Rot. Bonds2

About 1-[(3-methyl-1H-indol-5-yl)methyl]cyclopropan-1-ol

1-[(3-methyl-1H-indol-5-yl)methyl]cyclopropan-1-ol (PubChem CID 117290213) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 1-[(3-methyl-1H-indol-5-yl)methyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[(3-methyl-1H-indol-5-yl)methyl]cyclopropan-1-ol
PubChem CID117290213
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name1-[(3-methyl-1H-indol-5-yl)methyl]cyclopropan-1-ol
SMILESCc1c[nH]c2ccc(CC3(O)CC3)cc12
InChIInChI=1S/C13H15NO/c1-9-8-14-12-3-2-10(6-11(9)12)7-13(15)4-5-13/h2-3,6,8,14-15H,4-5,7H2,1H3
InChIKeyYQSMEOJYFCFEFL-UHFFFAOYSA-N
XLogP2.54
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(3-bromo-1H-indol-6-yl)methyl]cyclopropan-1-ol
CID 117419095
4-(3-methyl-1H-indol-5-yl)butan-1-amine
CID 117291124
3,5-dimethyl-1H-indole
CID 142943492
1-[(3-methyl-4-methylsulfanylphenyl)methyl]cyclopropan-1-ol
CID 117298022
2,2-dimethyl-3-(3-methyl-1H-indol-5-yl)propan-1-amine
CID 116996491
[4-(3-methyl-1H-indol-5-yl)phenyl]methanamine
CID 116996502
3-methyl-5-(3-piperazin-1-ylpropyl)-1H-indole
CID 116996532
1-[(2,3-dimethyl-1-benzofuran-6-yl)methyl]cyclopropan-1-ol
CID 117308163
1-(3-methyl-1H-indol-5-yl)cyclohexane-1-carboxylic acid
CID 117396793
1-(2H-benzotriazol-5-ylmethyl)cyclopropan-1-ol
CID 117281460
5-ethoxy-3-methyl-1H-indole
CID 82490542
1-[(3,4-dimethylphenyl)methyl]-4-ethylcyclohexan-1-ol
CID 63406863

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methyl-1H-indol-5-yl)methyl]cyclopropan-1-ol?
The IUPAC name of 1-[(3-methyl-1H-indol-5-yl)methyl]cyclopropan-1-ol (CID 117290213) is 1-[(3-methyl-1H-indol-5-yl)methyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[(3-methyl-1H-indol-5-yl)methyl]cyclopropan-1-ol?
The canonical SMILES for 1-[(3-methyl-1H-indol-5-yl)methyl]cyclopropan-1-ol is Cc1c[nH]c2ccc(CC3(O)CC3)cc12.
What is the InChIKey of 1-[(3-methyl-1H-indol-5-yl)methyl]cyclopropan-1-ol?
The InChIKey is YQSMEOJYFCFEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-9-8-14-12-3-2-10(6-11(9)12)7-13(15)4-5-13/h2-3,6,8,14-15H,4-5,7H2,1H3.
What are the key properties of 1-[(3-methyl-1H-indol-5-yl)methyl]cyclopropan-1-ol?
1-[(3-methyl-1H-indol-5-yl)methyl]cyclopropan-1-ol has a molecular weight of 201.27 g/mol, XLogP of 2.54, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methyl-1H-indol-5-yl)methyl]cyclopropan-1-ol is sourced from PubChem (CID 117290213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).