7-chloro-1-(2-methylprop-2-enyl)indole-2,3-dione

C12H10ClNO2 — CID 61355997

IUPAC7-chloro-1-(2-methylprop-2-enyl)indole-2,3-dione
SMILESC=C(C)CN1C(=O)C(=O)c2cccc(Cl)c21
InChIInChI=1S/C12H10ClNO2/c1-7(2)6-14-10-8(11(15)12(14)16)4-3-5-9(10)13/h3-5H,1,6H2,2H3
InChIKeyBPQPQTSTJJJEGA-UHFFFAOYSA-N
MW235.67 g/mol
LogP2.45
Rot. Bonds2

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

7-chloro-1-(2-methylprop-2-enyl)indole-2,3-dione (PubChem CID 61355997) has the molecular formula C12H10ClNO2 and a molecular weight of 235.67 g/mol. Its IUPAC name is 7-chloro-1-(2-methylprop-2-enyl)indole-2,3-dione.

Molecular Properties

Compound Name7-chloro-1-(2-methylprop-2-enyl)indole-2,3-dione
PubChem CID61355997
Molecular FormulaC12H10ClNO2
Molecular Weight235.67 g/mol
Exact Mass235.04
IUPAC Name7-chloro-1-(2-methylprop-2-enyl)indole-2,3-dione
SMILESC=C(C)CN1C(=O)C(=O)c2cccc(Cl)c21
InChIInChI=1S/C12H10ClNO2/c1-7(2)6-14-10-8(11(15)12(14)16)4-3-5-9(10)13/h3-5H,1,6H2,2H3
InChIKeyBPQPQTSTJJJEGA-UHFFFAOYSA-N
XLogP2.45
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 ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-chloro-1-[2-(methylaminomethyl)prop-2-enyl]indole-2,3-dione
CID 103072173
7-chloro-1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]indole-2,3-dione
CID 103072176
4-chloro-1-(2-methylprop-2-enyl)indole-2,3-dione
CID 61357751
7-chloro-1-(2,3-dichloroprop-2-enyl)indole-2,3-dione
CID 79174168
2-(7-chloro-2,3-dioxoindol-1-yl)acetonitrile
CID 61356292
2-(7-chloro-2,3-dioxoindol-1-yl)-N-phenylacetamide
CID 73346162
7-chloro-1-(cyclopropylmethyl)indole-2,3-dione
CID 61355974
7-chloro-1-(4-methylpentyl)indole-2,3-dione
CID 83157456
7-chloro-1-(2-propan-2-ylsulfonylethyl)indole-2,3-dione
CID 106726073
4-(7-chloro-2,3-dioxoindol-1-yl)butanoic acid
CID 61355822
7-chloro-1-(oxiran-2-ylmethyl)indole-2,3-dione
CID 61355675
7-chloro-1-(5-chloropentyl)indole-2,3-dione
CID 61355973

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-(2-methylprop-2-enyl)indole-2,3-dione?
The IUPAC name of 7-chloro-1-(2-methylprop-2-enyl)indole-2,3-dione (CID 61355997) is 7-chloro-1-(2-methylprop-2-enyl)indole-2,3-dione.
What is the SMILES notation for 7-chloro-1-(2-methylprop-2-enyl)indole-2,3-dione?
The canonical SMILES for 7-chloro-1-(2-methylprop-2-enyl)indole-2,3-dione is C=C(C)CN1C(=O)C(=O)c2cccc(Cl)c21.
What is the InChIKey of 7-chloro-1-(2-methylprop-2-enyl)indole-2,3-dione?
The InChIKey is BPQPQTSTJJJEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO2/c1-7(2)6-14-10-8(11(15)12(14)16)4-3-5-9(10)13/h3-5H,1,6H2,2H3.
What are the key properties of 7-chloro-1-(2-methylprop-2-enyl)indole-2,3-dione?
7-chloro-1-(2-methylprop-2-enyl)indole-2,3-dione has a molecular weight of 235.67 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-(2-methylprop-2-enyl)indole-2,3-dione is sourced from PubChem (CID 61355997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).