1-[1-(cyclopentylmethyl)-2,3-dihydroindol-3-yl]propan-2-one

C17H23NO — CID 115106375

IUPAC1-[1-(cyclopentylmethyl)-2,3-dihydroindol-3-yl]propan-2-one
SMILESCC(=O)CC1CN(CC2CCCC2)c2ccccc21
InChIInChI=1S/C17H23NO/c1-13(19)10-15-12-18(11-14-6-2-3-7-14)17-9-5-4-8-16(15)17/h4-5,8-9,14-15H,2-3,6-7,10-12H2,1H3
InChIKeyLGLFZOBENIOOHU-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.76
Rot. Bonds4

About 1-[1-(cyclopentylmethyl)-2,3-dihydroindol-3-yl]propan-2-one

1-[1-(cyclopentylmethyl)-2,3-dihydroindol-3-yl]propan-2-one (PubChem CID 115106375) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-[1-(cyclopentylmethyl)-2,3-dihydroindol-3-yl]propan-2-one.

Molecular Properties

Compound Name1-[1-(cyclopentylmethyl)-2,3-dihydroindol-3-yl]propan-2-one
PubChem CID115106375
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name1-[1-(cyclopentylmethyl)-2,3-dihydroindol-3-yl]propan-2-one
SMILESCC(=O)CC1CN(CC2CCCC2)c2ccccc21
InChIInChI=1S/C17H23NO/c1-13(19)10-15-12-18(11-14-6-2-3-7-14)17-9-5-4-8-16(15)17/h4-5,8-9,14-15H,2-3,6-7,10-12H2,1H3
InChIKeyLGLFZOBENIOOHU-UHFFFAOYSA-N
XLogP3.76
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-methyl-2,3-dihydroindol-3-yl)propan-2-one
CID 115106363
2-[1-(cyclopropylmethyl)-2,3-dihydroindol-3-yl]-2-methylpropanoic acid
CID 117118770
2-[1-(3-ethoxypropyl)-2,3-dihydroindol-3-yl]acetic acid
CID 80578144
2-[1-[3-(dimethylamino)-3-oxopropyl]-2,3-dihydroindol-3-yl]acetic acid
CID 80578399
1-(1-ethyl-5-methyl-2,3-dihydroindol-3-yl)propan-2-one
CID 117201853
2-[1-(2-amino-2-oxoethyl)-2,3-dihydroindol-3-yl]acetic acid
CID 80578328
2-[1-(3,3-dimethylbutyl)-2,3-dihydroindol-3-yl]acetic acid
CID 80578270
2-[1-(3-amino-2-methyl-3-oxopropyl)-2,3-dihydroindol-3-yl]acetic acid
CID 80578178
2-(1-acetyl-2,3-dihydroindol-3-yl)-N-cycloheptylacetamide
CID 110681954
2-(1-acetyl-2,3-dihydroindol-3-yl)acetic acid
CID 44720734
2-[1-(4-methylpentyl)-2,3-dihydroindol-3-yl]acetic acid
CID 83157358
2-[1-(thiophen-2-ylmethyl)-2,3-dihydroindol-3-yl]acetic acid
CID 80578332

Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclopentylmethyl)-2,3-dihydroindol-3-yl]propan-2-one?
The IUPAC name of 1-[1-(cyclopentylmethyl)-2,3-dihydroindol-3-yl]propan-2-one (CID 115106375) is 1-[1-(cyclopentylmethyl)-2,3-dihydroindol-3-yl]propan-2-one.
What is the SMILES notation for 1-[1-(cyclopentylmethyl)-2,3-dihydroindol-3-yl]propan-2-one?
The canonical SMILES for 1-[1-(cyclopentylmethyl)-2,3-dihydroindol-3-yl]propan-2-one is CC(=O)CC1CN(CC2CCCC2)c2ccccc21.
What is the InChIKey of 1-[1-(cyclopentylmethyl)-2,3-dihydroindol-3-yl]propan-2-one?
The InChIKey is LGLFZOBENIOOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-13(19)10-15-12-18(11-14-6-2-3-7-14)17-9-5-4-8-16(15)17/h4-5,8-9,14-15H,2-3,6-7,10-12H2,1H3.
What are the key properties of 1-[1-(cyclopentylmethyl)-2,3-dihydroindol-3-yl]propan-2-one?
1-[1-(cyclopentylmethyl)-2,3-dihydroindol-3-yl]propan-2-one has a molecular weight of 257.38 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclopentylmethyl)-2,3-dihydroindol-3-yl]propan-2-one is sourced from PubChem (CID 115106375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).