1-(5-chloropentyl)indole-2,3-dione

C13H14ClNO2 — CID 43348362

IUPAC1-(5-chloropentyl)indole-2,3-dione
SMILESO=C1C(=O)N(CCCCCCl)c2ccccc21
InChIInChI=1S/C13H14ClNO2/c14-8-4-1-5-9-15-11-7-3-2-6-10(11)12(16)13(15)17/h2-3,6-7H,1,4-5,8-9H2
InChIKeyNLLAPLALCKJBAP-UHFFFAOYSA-N
MW251.71 g/mol
LogP2.62
Rot. Bonds5

About 1-(5-chloropentyl)indole-2,3-dione

1-(5-chloropentyl)indole-2,3-dione (PubChem CID 43348362) has the molecular formula C13H14ClNO2 and a molecular weight of 251.71 g/mol. Its IUPAC name is 1-(5-chloropentyl)indole-2,3-dione.

Molecular Properties

Compound Name1-(5-chloropentyl)indole-2,3-dione
PubChem CID43348362
Molecular FormulaC13H14ClNO2
Molecular Weight251.71 g/mol
Exact Mass251.07
IUPAC Name1-(5-chloropentyl)indole-2,3-dione
SMILESO=C1C(=O)N(CCCCCCl)c2ccccc21
InChIInChI=1S/C13H14ClNO2/c14-8-4-1-5-9-15-11-7-3-2-6-10(11)12(16)13(15)17/h2-3,6-7H,1,4-5,8-9H2
InChIKeyNLLAPLALCKJBAP-UHFFFAOYSA-N
XLogP2.62
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.71
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,1'-biphenyl;1-(6-bromohexyl)indole-2,3-dione
CID 175135150
7-chloro-1-(5-chloropentyl)indole-2,3-dione
CID 61355973
4-chloro-1-(5-chloropentyl)indole-2,3-dione
CID 61359890
1-(3-azidopropyl)indole-2,3-dione
CID 71540686
1-[8-[3-[8-(2,3-dioxoindol-1-yl)octyl]-2,4-dioxopyrimidin-1-yl]octyl]indole-2,3-dione
CID 122206878
1-[3-(ethylamino)propyl]indole-2,3-dione
CID 61387334
1-(3-ethylsulfanylpropyl)indole-2,3-dione
CID 115659187
1-(4-indol-1-ylbutyl)indole-2,3-dione
CID 137357540
1-[4-(2,3-dimethylphenoxy)butyl]indole-2,3-dione
CID 18802266
1-[3-(4-benzylpiperazin-1-yl)propyl]indole-2,3-dione
CID 23363916
(3Z)-1-(2-chloroethyl)-3-[1-(2-chloroethyl)-2-oxoindol-3-ylidene]indol-2-one
CID 177483738
1-[4-(4-benzhydrylpiperazin-1-yl)butyl]indole-2,3-dione
CID 20502497

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloropentyl)indole-2,3-dione?
The IUPAC name of 1-(5-chloropentyl)indole-2,3-dione (CID 43348362) is 1-(5-chloropentyl)indole-2,3-dione.
What is the SMILES notation for 1-(5-chloropentyl)indole-2,3-dione?
The canonical SMILES for 1-(5-chloropentyl)indole-2,3-dione is O=C1C(=O)N(CCCCCCl)c2ccccc21.
What is the InChIKey of 1-(5-chloropentyl)indole-2,3-dione?
The InChIKey is NLLAPLALCKJBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO2/c14-8-4-1-5-9-15-11-7-3-2-6-10(11)12(16)13(15)17/h2-3,6-7H,1,4-5,8-9H2.
What are the key properties of 1-(5-chloropentyl)indole-2,3-dione?
1-(5-chloropentyl)indole-2,3-dione has a molecular weight of 251.71 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloropentyl)indole-2,3-dione is sourced from PubChem (CID 43348362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).