1'-acetyl-5'-chlorospiro[cyclopropane-1,2'-indole]-3'-one

C12H10ClNO2 — CID 12701924

IUPAC1'-acetyl-5'-chlorospiro[cyclopropane-1,2'-indole]-3'-one
SMILESCC(=O)N1c2ccc(Cl)cc2C(=O)C12CC2
InChIInChI=1S/C12H10ClNO2/c1-7(15)14-10-3-2-8(13)6-9(10)11(16)12(14)4-5-12/h2-3,6H,4-5H2,1H3
InChIKeyMPLMBPNRNPJURA-UHFFFAOYSA-N
MW235.67 g/mol
LogP2.42
Rot. Bonds

About 1'-acetyl-5'-chlorospiro[cyclopropane-1,2'-indole]-3'-one

1'-acetyl-5'-chlorospiro[cyclopropane-1,2'-indole]-3'-one (PubChem CID 12701924) has the molecular formula C12H10ClNO2 and a molecular weight of 235.67 g/mol. Its IUPAC name is 1'-acetyl-5'-chlorospiro[cyclopropane-1,2'-indole]-3'-one.

Molecular Properties

Compound Name1'-acetyl-5'-chlorospiro[cyclopropane-1,2'-indole]-3'-one
PubChem CID12701924
Molecular FormulaC12H10ClNO2
Molecular Weight235.67 g/mol
Exact Mass235.04
IUPAC Name1'-acetyl-5'-chlorospiro[cyclopropane-1,2'-indole]-3'-one
SMILESCC(=O)N1c2ccc(Cl)cc2C(=O)C12CC2
InChIInChI=1S/C12H10ClNO2/c1-7(15)14-10-3-2-8(13)6-9(10)11(16)12(14)4-5-12/h2-3,6H,4-5H2,1H3
InChIKeyMPLMBPNRNPJURA-UHFFFAOYSA-N
XLogP2.42
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.67
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1'-acetyl-5'-chlorospiro[cyclopropane-1,2'-indole]-3'-one?
The IUPAC name of 1'-acetyl-5'-chlorospiro[cyclopropane-1,2'-indole]-3'-one (CID 12701924) is 1'-acetyl-5'-chlorospiro[cyclopropane-1,2'-indole]-3'-one.
What is the SMILES notation for 1'-acetyl-5'-chlorospiro[cyclopropane-1,2'-indole]-3'-one?
The canonical SMILES for 1'-acetyl-5'-chlorospiro[cyclopropane-1,2'-indole]-3'-one is CC(=O)N1c2ccc(Cl)cc2C(=O)C12CC2.
What is the InChIKey of 1'-acetyl-5'-chlorospiro[cyclopropane-1,2'-indole]-3'-one?
The InChIKey is MPLMBPNRNPJURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO2/c1-7(15)14-10-3-2-8(13)6-9(10)11(16)12(14)4-5-12/h2-3,6H,4-5H2,1H3.
What are the key properties of 1'-acetyl-5'-chlorospiro[cyclopropane-1,2'-indole]-3'-one?
1'-acetyl-5'-chlorospiro[cyclopropane-1,2'-indole]-3'-one has a molecular weight of 235.67 g/mol, XLogP of 2.42, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-acetyl-5'-chlorospiro[cyclopropane-1,2'-indole]-3'-one is sourced from PubChem (CID 12701924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).