1'-propan-2-ylspiro[cyclopropane-1,2'-indole]-3'-one

C13H15NO — CID 21318563

IUPAC1'-propan-2-ylspiro[cyclopropane-1,2'-indole]-3'-one
SMILESCC(C)N1c2ccccc2C(=O)C12CC2
InChIInChI=1S/C13H15NO/c1-9(2)14-11-6-4-3-5-10(11)12(15)13(14)7-8-13/h3-6,9H,7-8H2,1-2H3
InChIKeyAKRBIYMJLQYYTC-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.63
Rot. Bonds1

About 1'-propan-2-ylspiro[cyclopropane-1,2'-indole]-3'-one

1'-propan-2-ylspiro[cyclopropane-1,2'-indole]-3'-one (PubChem CID 21318563) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 1'-propan-2-ylspiro[cyclopropane-1,2'-indole]-3'-one.

Molecular Properties

Compound Name1'-propan-2-ylspiro[cyclopropane-1,2'-indole]-3'-one
PubChem CID21318563
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name1'-propan-2-ylspiro[cyclopropane-1,2'-indole]-3'-one
SMILESCC(C)N1c2ccccc2C(=O)C12CC2
InChIInChI=1S/C13H15NO/c1-9(2)14-11-6-4-3-5-10(11)12(15)13(14)7-8-13/h3-6,9H,7-8H2,1-2H3
InChIKeyAKRBIYMJLQYYTC-UHFFFAOYSA-N
XLogP2.63
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1'-propan-2-ylspiro[cyclopropane-1,2'-indole]-3'-one?
The IUPAC name of 1'-propan-2-ylspiro[cyclopropane-1,2'-indole]-3'-one (CID 21318563) is 1'-propan-2-ylspiro[cyclopropane-1,2'-indole]-3'-one.
What is the SMILES notation for 1'-propan-2-ylspiro[cyclopropane-1,2'-indole]-3'-one?
The canonical SMILES for 1'-propan-2-ylspiro[cyclopropane-1,2'-indole]-3'-one is CC(C)N1c2ccccc2C(=O)C12CC2.
What is the InChIKey of 1'-propan-2-ylspiro[cyclopropane-1,2'-indole]-3'-one?
The InChIKey is AKRBIYMJLQYYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-9(2)14-11-6-4-3-5-10(11)12(15)13(14)7-8-13/h3-6,9H,7-8H2,1-2H3.
What are the key properties of 1'-propan-2-ylspiro[cyclopropane-1,2'-indole]-3'-one?
1'-propan-2-ylspiro[cyclopropane-1,2'-indole]-3'-one has a molecular weight of 201.27 g/mol, XLogP of 2.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-propan-2-ylspiro[cyclopropane-1,2'-indole]-3'-one is sourced from PubChem (CID 21318563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).