1-(2-bicyclo[2.2.1]heptanylmethyl)-7-chloroindole-2,3-dione

C16H16ClNO2 — CID 79563130

IUPAC1-(2-bicyclo[2.2.1]heptanylmethyl)-7-chloroindole-2,3-dione
SMILESO=C1C(=O)N(CC2CC3CCC2C3)c2c(Cl)cccc21
InChIInChI=1S/C16H16ClNO2/c17-13-3-1-2-12-14(13)18(16(20)15(12)19)8-11-7-9-4-5-10(11)6-9/h1-3,9-11H,4-8H2
InChIKeyQPGVDJJUIIKNCX-UHFFFAOYSA-N
MW289.76 g/mol
LogP3.31
Rot. Bonds2

About 1-(2-bicyclo[2.2.1]heptanylmethyl)-7-chloroindole-2,3-dione

1-(2-bicyclo[2.2.1]heptanylmethyl)-7-chloroindole-2,3-dione (PubChem CID 79563130) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanylmethyl)-7-chloroindole-2,3-dione.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanylmethyl)-7-chloroindole-2,3-dione
PubChem CID79563130
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC Name1-(2-bicyclo[2.2.1]heptanylmethyl)-7-chloroindole-2,3-dione
SMILESO=C1C(=O)N(CC2CC3CCC2C3)c2c(Cl)cccc21
InChIInChI=1S/C16H16ClNO2/c17-13-3-1-2-12-14(13)18(16(20)15(12)19)8-11-7-9-4-5-10(11)6-9/h1-3,9-11H,4-8H2
InChIKeyQPGVDJJUIIKNCX-UHFFFAOYSA-N
XLogP3.31
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 53.31
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-(cyclopropylmethyl)indole-2,3-dione
CID 61355974
1-(2-bicyclo[2.2.1]heptanylmethyl)-4-chloro-7-fluoroindole-2,3-dione
CID 79563135
7-chloro-1-(oxiran-2-ylmethyl)indole-2,3-dione
CID 61355675
1-(2-bicyclo[2.2.1]heptanylmethyl)-4,7-difluoroindole-2,3-dione
CID 83206691
1-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-6-fluoroindole-2,3-dione
CID 79563139
1-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]pyrrolidine-2,5-dione
CID 98186318
7-chloro-1-(2-methylprop-2-enyl)indole-2,3-dione
CID 61355997
7-chloro-1-(2-propan-2-ylsulfonylethyl)indole-2,3-dione
CID 106726073
7-chloro-1-(3-pyrrolidin-1-ylpropyl)indole-2,3-dione
CID 61494087
4-(7-chloro-2,3-dioxoindol-1-yl)butanoic acid
CID 61355822
3-[(7-chloro-2,3-dioxoindol-1-yl)methyl]furan-2-carboxylic acid
CID 61355825
(1,3-dioxoisoindol-2-yl)methyl 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetate
CID 11916756

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanylmethyl)-7-chloroindole-2,3-dione?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanylmethyl)-7-chloroindole-2,3-dione (CID 79563130) is 1-(2-bicyclo[2.2.1]heptanylmethyl)-7-chloroindole-2,3-dione.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanylmethyl)-7-chloroindole-2,3-dione?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanylmethyl)-7-chloroindole-2,3-dione is O=C1C(=O)N(CC2CC3CCC2C3)c2c(Cl)cccc21.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanylmethyl)-7-chloroindole-2,3-dione?
The InChIKey is QPGVDJJUIIKNCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2/c17-13-3-1-2-12-14(13)18(16(20)15(12)19)8-11-7-9-4-5-10(11)6-9/h1-3,9-11H,4-8H2.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanylmethyl)-7-chloroindole-2,3-dione?
1-(2-bicyclo[2.2.1]heptanylmethyl)-7-chloroindole-2,3-dione has a molecular weight of 289.76 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanylmethyl)-7-chloroindole-2,3-dione is sourced from PubChem (CID 79563130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).