7-chloro-1-(cyclopropylmethyl)indole-2,3-dione

C12H10ClNO2 — CID 61355974

IUPAC7-chloro-1-(cyclopropylmethyl)indole-2,3-dione
SMILESO=C1C(=O)N(CC2CC2)c2c(Cl)cccc21
InChIInChI=1S/C12H10ClNO2/c13-9-3-1-2-8-10(9)14(6-7-4-5-7)12(16)11(8)15/h1-3,7H,4-6H2
InChIKeyBKEFFYSBPATUJE-UHFFFAOYSA-N
MW235.67 g/mol
LogP2.28
Rot. Bonds2

About 7-chloro-1-(cyclopropylmethyl)indole-2,3-dione

7-chloro-1-(cyclopropylmethyl)indole-2,3-dione (PubChem CID 61355974) has the molecular formula C12H10ClNO2 and a molecular weight of 235.67 g/mol. Its IUPAC name is 7-chloro-1-(cyclopropylmethyl)indole-2,3-dione.

Molecular Properties

Compound Name7-chloro-1-(cyclopropylmethyl)indole-2,3-dione
PubChem CID61355974
Molecular FormulaC12H10ClNO2
Molecular Weight235.67 g/mol
Exact Mass235.04
IUPAC Name7-chloro-1-(cyclopropylmethyl)indole-2,3-dione
SMILESO=C1C(=O)N(CC2CC2)c2c(Cl)cccc21
InChIInChI=1S/C12H10ClNO2/c13-9-3-1-2-8-10(9)14(6-7-4-5-7)12(16)11(8)15/h1-3,7H,4-6H2
InChIKeyBKEFFYSBPATUJE-UHFFFAOYSA-N
XLogP2.28
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.67
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-chloro-1-(oxiran-2-ylmethyl)indole-2,3-dione
CID 61355675
7-bromo-1-(cyclopropylmethyl)indole-2,3-dione
CID 61356437
1-(2-bicyclo[2.2.1]heptanylmethyl)-7-chloroindole-2,3-dione
CID 79563130
4,7-dichloro-1-(cyclopropylmethyl)indole-2,3-dione
CID 106988637
1-(cyclopentylmethyl)-7-fluoroindole-2,3-dione
CID 58101411
2-(7-chloro-2,3-dioxoindol-1-yl)acetonitrile
CID 61356292
7-chloro-1-[(3-chloro-2-fluorophenyl)methyl]indole-2,3-dione
CID 102856251
7-chloro-1-(2-methylprop-2-enyl)indole-2,3-dione
CID 61355997
7-chloro-1-(3-pyrrolidin-1-ylpropyl)indole-2,3-dione
CID 61494087
7-chloro-1-(5-chloropentyl)indole-2,3-dione
CID 61355973
7-chloro-1-(2,3-dichloroprop-2-enyl)indole-2,3-dione
CID 79174168
7-chloro-1-[(2-chloro-3-fluorophenyl)methyl]indole-2,3-dione
CID 115983068

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-(cyclopropylmethyl)indole-2,3-dione?
The IUPAC name of 7-chloro-1-(cyclopropylmethyl)indole-2,3-dione (CID 61355974) is 7-chloro-1-(cyclopropylmethyl)indole-2,3-dione.
What is the SMILES notation for 7-chloro-1-(cyclopropylmethyl)indole-2,3-dione?
The canonical SMILES for 7-chloro-1-(cyclopropylmethyl)indole-2,3-dione is O=C1C(=O)N(CC2CC2)c2c(Cl)cccc21.
What is the InChIKey of 7-chloro-1-(cyclopropylmethyl)indole-2,3-dione?
The InChIKey is BKEFFYSBPATUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO2/c13-9-3-1-2-8-10(9)14(6-7-4-5-7)12(16)11(8)15/h1-3,7H,4-6H2.
What are the key properties of 7-chloro-1-(cyclopropylmethyl)indole-2,3-dione?
7-chloro-1-(cyclopropylmethyl)indole-2,3-dione has a molecular weight of 235.67 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-(cyclopropylmethyl)indole-2,3-dione is sourced from PubChem (CID 61355974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).