7-propylspiro[1H-indole-3,1'-cyclobutane]-2-one

C14H17NO — CID 84622128

IUPAC7-propylspiro[1H-indole-3,1'-cyclobutane]-2-one
SMILESCCCc1cccc2c1NC(=O)C21CCC1
InChIInChI=1S/C14H17NO/c1-2-5-10-6-3-7-11-12(10)15-13(16)14(11)8-4-9-14/h3,6-7H,2,4-5,8-9H2,1H3,(H,15,16)
InChIKeyJIKNFCHYDWAHHB-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.01
Rot. Bonds2

About 7-propylspiro[1H-indole-3,1'-cyclobutane]-2-one

7-propylspiro[1H-indole-3,1'-cyclobutane]-2-one (PubChem CID 84622128) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 7-propylspiro[1H-indole-3,1'-cyclobutane]-2-one.

Molecular Properties

Compound Name7-propylspiro[1H-indole-3,1'-cyclobutane]-2-one
PubChem CID84622128
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name7-propylspiro[1H-indole-3,1'-cyclobutane]-2-one
SMILESCCCc1cccc2c1NC(=O)C21CCC1
InChIInChI=1S/C14H17NO/c1-2-5-10-6-3-7-11-12(10)15-13(16)14(11)8-4-9-14/h3,6-7H,2,4-5,8-9H2,1H3,(H,15,16)
InChIKeyJIKNFCHYDWAHHB-UHFFFAOYSA-N
XLogP3.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-propylspiro[1H-indole-3,1'-cyclobutane]-2-one?
The IUPAC name of 7-propylspiro[1H-indole-3,1'-cyclobutane]-2-one (CID 84622128) is 7-propylspiro[1H-indole-3,1'-cyclobutane]-2-one.
What is the SMILES notation for 7-propylspiro[1H-indole-3,1'-cyclobutane]-2-one?
The canonical SMILES for 7-propylspiro[1H-indole-3,1'-cyclobutane]-2-one is CCCc1cccc2c1NC(=O)C21CCC1.
What is the InChIKey of 7-propylspiro[1H-indole-3,1'-cyclobutane]-2-one?
The InChIKey is JIKNFCHYDWAHHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-2-5-10-6-3-7-11-12(10)15-13(16)14(11)8-4-9-14/h3,6-7H,2,4-5,8-9H2,1H3,(H,15,16).
What are the key properties of 7-propylspiro[1H-indole-3,1'-cyclobutane]-2-one?
7-propylspiro[1H-indole-3,1'-cyclobutane]-2-one has a molecular weight of 215.30 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propylspiro[1H-indole-3,1'-cyclobutane]-2-one is sourced from PubChem (CID 84622128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).