1-[1-(cyclobutylmethyl)indol-4-yl]propan-2-one

C16H19NO — CID 115106908

IUPAC1-[1-(cyclobutylmethyl)indol-4-yl]propan-2-one
SMILESCC(=O)Cc1cccc2c1ccn2CC1CCC1
InChIInChI=1S/C16H19NO/c1-12(18)10-14-6-3-7-16-15(14)8-9-17(16)11-13-4-2-5-13/h3,6-9,13H,2,4-5,10-11H2,1H3
InChIKeyGLGAOZLTESWOCS-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.57
Rot. Bonds4

About 1-[1-(cyclobutylmethyl)indol-4-yl]propan-2-one

1-[1-(cyclobutylmethyl)indol-4-yl]propan-2-one (PubChem CID 115106908) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-[1-(cyclobutylmethyl)indol-4-yl]propan-2-one.

Molecular Properties

Compound Name1-[1-(cyclobutylmethyl)indol-4-yl]propan-2-one
PubChem CID115106908
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name1-[1-(cyclobutylmethyl)indol-4-yl]propan-2-one
SMILESCC(=O)Cc1cccc2c1ccn2CC1CCC1
InChIInChI=1S/C16H19NO/c1-12(18)10-14-6-3-7-16-15(14)8-9-17(16)11-13-4-2-5-13/h3,6-9,13H,2,4-5,10-11H2,1H3
InChIKeyGLGAOZLTESWOCS-UHFFFAOYSA-N
XLogP3.57
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(cyclobutylmethyl)indol-4-yl]propan-2-ol
CID 115106892
1-[1-(cyclopentylmethyl)indol-3-yl]propan-2-one
CID 115107167
3-[1-(cyclopropylmethyl)indol-4-yl]propanoic acid
CID 115107009
1-(cyclohexylmethyl)indole-4-carboxylic acid
CID 43316618
2-[1-(cyclopropylmethyl)indol-4-yl]acetaldehyde
CID 115106905
3-[1-(cyclopentylmethyl)indol-4-yl]propan-1-amine
CID 115106970
2-[1-(cyclobutylmethyl)indol-4-yl]propan-1-ol
CID 117118879
2-[1-(cyclopentylmethyl)indol-4-yl]propan-1-ol
CID 117118984
1-(oxan-4-ylmethyl)indole-4-carboxylic acid
CID 62385888
1-(cyclopropylmethyl)-4-ethoxyindole
CID 83173607
4-[1-(cyclobutylmethyl)indol-3-yl]butanoic acid
CID 65458314
CID 159066935
CID 159066935

Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclobutylmethyl)indol-4-yl]propan-2-one?
The IUPAC name of 1-[1-(cyclobutylmethyl)indol-4-yl]propan-2-one (CID 115106908) is 1-[1-(cyclobutylmethyl)indol-4-yl]propan-2-one.
What is the SMILES notation for 1-[1-(cyclobutylmethyl)indol-4-yl]propan-2-one?
The canonical SMILES for 1-[1-(cyclobutylmethyl)indol-4-yl]propan-2-one is CC(=O)Cc1cccc2c1ccn2CC1CCC1.
What is the InChIKey of 1-[1-(cyclobutylmethyl)indol-4-yl]propan-2-one?
The InChIKey is GLGAOZLTESWOCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-12(18)10-14-6-3-7-16-15(14)8-9-17(16)11-13-4-2-5-13/h3,6-9,13H,2,4-5,10-11H2,1H3.
What are the key properties of 1-[1-(cyclobutylmethyl)indol-4-yl]propan-2-one?
1-[1-(cyclobutylmethyl)indol-4-yl]propan-2-one has a molecular weight of 241.33 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclobutylmethyl)indol-4-yl]propan-2-one is sourced from PubChem (CID 115106908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).