2-[1-(cyclobutylmethyl)indol-3-yl]propan-2-ol

C16H21NO — CID 117118920

IUPAC2-[1-(cyclobutylmethyl)indol-3-yl]propan-2-ol
SMILESCC(C)(O)c1cn(CC2CCC2)c2ccccc12
InChIInChI=1S/C16H21NO/c1-16(2,18)14-11-17(10-12-6-5-7-12)15-9-4-3-8-13(14)15/h3-4,8-9,11-12,18H,5-7,10H2,1-2H3
InChIKeyQNJLONJJXQNIFL-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.67
Rot. Bonds3

About 2-[1-(cyclobutylmethyl)indol-3-yl]propan-2-ol

2-[1-(cyclobutylmethyl)indol-3-yl]propan-2-ol (PubChem CID 117118920) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-[1-(cyclobutylmethyl)indol-3-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-(cyclobutylmethyl)indol-3-yl]propan-2-ol
PubChem CID117118920
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name2-[1-(cyclobutylmethyl)indol-3-yl]propan-2-ol
SMILESCC(C)(O)c1cn(CC2CCC2)c2ccccc12
InChIInChI=1S/C16H21NO/c1-16(2,18)14-11-17(10-12-6-5-7-12)15-9-4-3-8-13(14)15/h3-4,8-9,11-12,18H,5-7,10H2,1-2H3
InChIKeyQNJLONJJXQNIFL-UHFFFAOYSA-N
XLogP3.67
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclobutylmethyl)indol-3-yl]propan-2-ol?
The IUPAC name of 2-[1-(cyclobutylmethyl)indol-3-yl]propan-2-ol (CID 117118920) is 2-[1-(cyclobutylmethyl)indol-3-yl]propan-2-ol.
What is the SMILES notation for 2-[1-(cyclobutylmethyl)indol-3-yl]propan-2-ol?
The canonical SMILES for 2-[1-(cyclobutylmethyl)indol-3-yl]propan-2-ol is CC(C)(O)c1cn(CC2CCC2)c2ccccc12.
What is the InChIKey of 2-[1-(cyclobutylmethyl)indol-3-yl]propan-2-ol?
The InChIKey is QNJLONJJXQNIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-16(2,18)14-11-17(10-12-6-5-7-12)15-9-4-3-8-13(14)15/h3-4,8-9,11-12,18H,5-7,10H2,1-2H3.
What are the key properties of 2-[1-(cyclobutylmethyl)indol-3-yl]propan-2-ol?
2-[1-(cyclobutylmethyl)indol-3-yl]propan-2-ol has a molecular weight of 243.35 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclobutylmethyl)indol-3-yl]propan-2-ol is sourced from PubChem (CID 117118920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).