1-spiro[2H-indole-3,1'-cyclopentane]-1-ylethanone

C14H17NO — CID 3039209

IUPAC1-spiro[2H-indole-3,1'-cyclopentane]-1-ylethanone
SMILESCC(=O)N1CC2(CCCC2)c2ccccc21
InChIInChI=1S/C14H17NO/c1-11(16)15-10-14(8-4-5-9-14)12-6-2-3-7-13(12)15/h2-3,6-7H,4-5,8-10H2,1H3
InChIKeyWWXGSKCMGUTIOD-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.86
Rot. Bonds

About 1-spiro[2H-indole-3,1'-cyclopentane]-1-ylethanone

1-spiro[2H-indole-3,1'-cyclopentane]-1-ylethanone (PubChem CID 3039209) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 1-spiro[2H-indole-3,1'-cyclopentane]-1-ylethanone.

Molecular Properties

Compound Name1-spiro[2H-indole-3,1'-cyclopentane]-1-ylethanone
PubChem CID3039209
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name1-spiro[2H-indole-3,1'-cyclopentane]-1-ylethanone
SMILESCC(=O)N1CC2(CCCC2)c2ccccc21
InChIInChI=1S/C14H17NO/c1-11(16)15-10-14(8-4-5-9-14)12-6-2-3-7-13(12)15/h2-3,6-7H,4-5,8-10H2,1H3
InChIKeyWWXGSKCMGUTIOD-UHFFFAOYSA-N
XLogP2.86
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-spiro[2H-indole-3,1'-cyclopentane]-1-ylethanone?
The IUPAC name of 1-spiro[2H-indole-3,1'-cyclopentane]-1-ylethanone (CID 3039209) is 1-spiro[2H-indole-3,1'-cyclopentane]-1-ylethanone.
What is the SMILES notation for 1-spiro[2H-indole-3,1'-cyclopentane]-1-ylethanone?
The canonical SMILES for 1-spiro[2H-indole-3,1'-cyclopentane]-1-ylethanone is CC(=O)N1CC2(CCCC2)c2ccccc21.
What is the InChIKey of 1-spiro[2H-indole-3,1'-cyclopentane]-1-ylethanone?
The InChIKey is WWXGSKCMGUTIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-11(16)15-10-14(8-4-5-9-14)12-6-2-3-7-13(12)15/h2-3,6-7H,4-5,8-10H2,1H3.
What are the key properties of 1-spiro[2H-indole-3,1'-cyclopentane]-1-ylethanone?
1-spiro[2H-indole-3,1'-cyclopentane]-1-ylethanone has a molecular weight of 215.30 g/mol, XLogP of 2.86, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-spiro[2H-indole-3,1'-cyclopentane]-1-ylethanone is sourced from PubChem (CID 3039209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).