1-(4-oxopentyl)-3H-indol-2-one

C13H15NO2 — CID 114999184

IUPAC1-(4-oxopentyl)-3H-indol-2-one
SMILESCC(=O)CCCN1C(=O)Cc2ccccc21
InChIInChI=1S/C13H15NO2/c1-10(15)5-4-8-14-12-7-3-2-6-11(12)9-13(14)16/h2-3,6-7H,4-5,8-9H2,1H3
InChIKeyBJKSPQMLHIUCNS-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.94
Rot. Bonds4

About 1-(4-oxopentyl)-3H-indol-2-one

1-(4-oxopentyl)-3H-indol-2-one (PubChem CID 114999184) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 1-(4-oxopentyl)-3H-indol-2-one.

Molecular Properties

Compound Name1-(4-oxopentyl)-3H-indol-2-one
PubChem CID114999184
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name1-(4-oxopentyl)-3H-indol-2-one
SMILESCC(=O)CCCN1C(=O)Cc2ccccc21
InChIInChI=1S/C13H15NO2/c1-10(15)5-4-8-14-12-7-3-2-6-11(12)9-13(14)16/h2-3,6-7H,4-5,8-9H2,1H3
InChIKeyBJKSPQMLHIUCNS-UHFFFAOYSA-N
XLogP1.94
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-1-(4-oxopentyl)-3H-indol-2-one
CID 115236208
1-(2-hydroxyethyl)-3H-indol-2-one
CID 18624228
1-(5-aminohexyl)-3H-indol-2-one
CID 114993593
6-chloro-1-(5-oxohexyl)-3H-indol-2-one
CID 62017686
1-(3-hydroxybutyl)-3H-indol-2-one
CID 82239875
1-(2-sulfanylethyl)-3H-indol-2-one
CID 117030099
1-(2-methoxyethyl)-3H-indol-2-one
CID 58486241
1-[6-(3,4-dihydro-1H-isoquinolin-2-yl)hexyl]-3H-indol-2-one
CID 118709740
1-[5-(3,4-dihydro-1H-isoquinolin-2-yl)pentyl]-3H-indol-2-one
CID 118709739
1-[3-(2-methylpropylamino)propyl]-3H-indol-2-one
CID 114993317
2-(2-oxo-3H-indol-1-yl)acetamide
CID 840219
6-(9H-acridin-10-yl)hexanoic acid
CID 66643396

Frequently Asked Questions

What is the IUPAC name of 1-(4-oxopentyl)-3H-indol-2-one?
The IUPAC name of 1-(4-oxopentyl)-3H-indol-2-one (CID 114999184) is 1-(4-oxopentyl)-3H-indol-2-one.
What is the SMILES notation for 1-(4-oxopentyl)-3H-indol-2-one?
The canonical SMILES for 1-(4-oxopentyl)-3H-indol-2-one is CC(=O)CCCN1C(=O)Cc2ccccc21.
What is the InChIKey of 1-(4-oxopentyl)-3H-indol-2-one?
The InChIKey is BJKSPQMLHIUCNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-10(15)5-4-8-14-12-7-3-2-6-11(12)9-13(14)16/h2-3,6-7H,4-5,8-9H2,1H3.
What are the key properties of 1-(4-oxopentyl)-3H-indol-2-one?
1-(4-oxopentyl)-3H-indol-2-one has a molecular weight of 217.27 g/mol, XLogP of 1.94, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-oxopentyl)-3H-indol-2-one is sourced from PubChem (CID 114999184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).