1-[1-(cyclobutylmethyl)indol-5-yl]propan-2-ol

C16H21NO — CID 115106760

IUPAC1-[1-(cyclobutylmethyl)indol-5-yl]propan-2-ol
SMILESCC(O)Cc1ccc2c(ccn2CC2CCC2)c1
InChIInChI=1S/C16H21NO/c1-12(18)9-14-5-6-16-15(10-14)7-8-17(16)11-13-3-2-4-13/h5-8,10,12-13,18H,2-4,9,11H2,1H3
InChIKeyGEUFECMHAZNKDS-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.36
Rot. Bonds4

About 1-[1-(cyclobutylmethyl)indol-5-yl]propan-2-ol

1-[1-(cyclobutylmethyl)indol-5-yl]propan-2-ol (PubChem CID 115106760) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-[1-(cyclobutylmethyl)indol-5-yl]propan-2-ol.

Molecular Properties

Compound Name1-[1-(cyclobutylmethyl)indol-5-yl]propan-2-ol
PubChem CID115106760
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name1-[1-(cyclobutylmethyl)indol-5-yl]propan-2-ol
SMILESCC(O)Cc1ccc2c(ccn2CC2CCC2)c1
InChIInChI=1S/C16H21NO/c1-12(18)9-14-5-6-16-15(10-14)7-8-17(16)11-13-3-2-4-13/h5-8,10,12-13,18H,2-4,9,11H2,1H3
InChIKeyGEUFECMHAZNKDS-UHFFFAOYSA-N
XLogP3.36
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(cyclopentylmethyl)indol-5-yl]propan-2-ol
CID 115106762
[1-(cyclobutylmethyl)indol-5-yl]methanol
CID 117118884
1-[1-(cyclobutylmethyl)indol-6-yl]propan-2-amine
CID 115106688
2-[1-(cyclopentylmethyl)indol-5-yl]ethanol
CID 115106761
5-bromo-1-(cyclobutylmethyl)indole
CID 116619741
1-(cyclopentylmethyl)-5-propan-2-yloxyindole
CID 116625784
1-[1-(cyclobutylmethyl)indol-4-yl]propan-2-ol
CID 115106892
2-[1-(cyclopropylmethyl)indol-5-yl]ethanamine
CID 115106812
1-(1-ethylindol-6-yl)propan-2-ol
CID 115106620
1-(cyclohexylmethyl)indole-5-carbaldehyde
CID 102910537
1-[1-(cyclopentylmethyl)indol-7-yl]propan-2-ol
CID 115106495
1-[5-(2-hydroxypropyl)indol-1-yl]-2,2-dimethylpropan-1-one
CID 175552202

Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclobutylmethyl)indol-5-yl]propan-2-ol?
The IUPAC name of 1-[1-(cyclobutylmethyl)indol-5-yl]propan-2-ol (CID 115106760) is 1-[1-(cyclobutylmethyl)indol-5-yl]propan-2-ol.
What is the SMILES notation for 1-[1-(cyclobutylmethyl)indol-5-yl]propan-2-ol?
The canonical SMILES for 1-[1-(cyclobutylmethyl)indol-5-yl]propan-2-ol is CC(O)Cc1ccc2c(ccn2CC2CCC2)c1.
What is the InChIKey of 1-[1-(cyclobutylmethyl)indol-5-yl]propan-2-ol?
The InChIKey is GEUFECMHAZNKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-12(18)9-14-5-6-16-15(10-14)7-8-17(16)11-13-3-2-4-13/h5-8,10,12-13,18H,2-4,9,11H2,1H3.
What are the key properties of 1-[1-(cyclobutylmethyl)indol-5-yl]propan-2-ol?
1-[1-(cyclobutylmethyl)indol-5-yl]propan-2-ol has a molecular weight of 243.35 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclobutylmethyl)indol-5-yl]propan-2-ol is sourced from PubChem (CID 115106760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).