6-chloro-1-(5-oxohexyl)-3H-indol-2-one

C14H16ClNO2 — CID 62017686

IUPAC6-chloro-1-(5-oxohexyl)-3H-indol-2-one
SMILESCC(=O)CCCCN1C(=O)Cc2ccc(Cl)cc21
InChIInChI=1S/C14H16ClNO2/c1-10(17)4-2-3-7-16-13-9-12(15)6-5-11(13)8-14(16)18/h5-6,9H,2-4,7-8H2,1H3
InChIKeyIGTZOIUJMYAKFY-UHFFFAOYSA-N
MW265.74 g/mol
LogP2.99
Rot. Bonds5

About 6-chloro-1-(5-oxohexyl)-3H-indol-2-one

6-chloro-1-(5-oxohexyl)-3H-indol-2-one (PubChem CID 62017686) has the molecular formula C14H16ClNO2 and a molecular weight of 265.74 g/mol. Its IUPAC name is 6-chloro-1-(5-oxohexyl)-3H-indol-2-one.

Molecular Properties

Compound Name6-chloro-1-(5-oxohexyl)-3H-indol-2-one
PubChem CID62017686
Molecular FormulaC14H16ClNO2
Molecular Weight265.74 g/mol
Exact Mass265.09
IUPAC Name6-chloro-1-(5-oxohexyl)-3H-indol-2-one
SMILESCC(=O)CCCCN1C(=O)Cc2ccc(Cl)cc21
InChIInChI=1S/C14H16ClNO2/c1-10(17)4-2-3-7-16-13-9-12(15)6-5-11(13)8-14(16)18/h5-6,9H,2-4,7-8H2,1H3
InChIKeyIGTZOIUJMYAKFY-UHFFFAOYSA-N
XLogP2.99
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-oxopentyl)-3H-indol-2-one
CID 114999184
6-chloro-1-(5-oxohexyl)indole-2,3-dione
CID 62023661
5-amino-1-(4-oxopentyl)-3H-indol-2-one
CID 115236208
6-chloro-1-prop-2-ynyl-3H-indol-2-one
CID 61344508
3-(6-chloro-2-oxo-3H-indol-1-yl)-2,2-dimethylpropanehydrazide
CID 79630982
5-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)pentanoic acid
CID 43330645
7-amino-N-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]heptanamide;hydrochloride
CID 119756085
4-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)butanoic acid
CID 6473219
1,5-dihexadecyl-3,7-dihydropyrrolo[2,3-f]indole-2,6-dione
CID 118343384
7-chloro-1-[4-[hydroxy(dimethyl)silyl]-4-methylpentyl]-3,4-dihydroquinolin-2-one
CID 71021466
1-(2-bromoethyl)-5-chloro-3H-indol-2-one
CID 141484546
5-amino-1-(3-oxobutyl)-3H-indol-2-one
CID 115235380

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-(5-oxohexyl)-3H-indol-2-one?
The IUPAC name of 6-chloro-1-(5-oxohexyl)-3H-indol-2-one (CID 62017686) is 6-chloro-1-(5-oxohexyl)-3H-indol-2-one.
What is the SMILES notation for 6-chloro-1-(5-oxohexyl)-3H-indol-2-one?
The canonical SMILES for 6-chloro-1-(5-oxohexyl)-3H-indol-2-one is CC(=O)CCCCN1C(=O)Cc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-1-(5-oxohexyl)-3H-indol-2-one?
The InChIKey is IGTZOIUJMYAKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO2/c1-10(17)4-2-3-7-16-13-9-12(15)6-5-11(13)8-14(16)18/h5-6,9H,2-4,7-8H2,1H3.
What are the key properties of 6-chloro-1-(5-oxohexyl)-3H-indol-2-one?
6-chloro-1-(5-oxohexyl)-3H-indol-2-one has a molecular weight of 265.74 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-(5-oxohexyl)-3H-indol-2-one is sourced from PubChem (CID 62017686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).