3-[2-(7-methyl-4-oxospiro[2,3-dihydronaphthalene-1,1'-cyclopropane]-2-yl)ethyl]piperidine-2,6-dione

C20H23NO3 — CID 174323041

IUPAC3-[2-(7-methyl-4-oxospiro[2,3-dihydronaphthalene-1,1'-cyclopropane]-2-yl)ethyl]piperidine-2,6-dione
SMILESCc1ccc2c(c1)C1(CC1)C(CCC1CCC(=O)NC1=O)CC2=O
InChIInChI=1S/C20H23NO3/c1-12-2-6-15-16(10-12)20(8-9-20)14(11-17(15)22)5-3-13-4-7-18(23)21-19(13)24/h2,6,10,13-14H,3-5,7-9,11H2,1H3,(H,21,23,24)
InChIKeyLOGWNEXMACNZPP-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.06
Rot. Bonds3

About 3-[2-(7-methyl-4-oxospiro[2,3-dihydronaphthalene-1,1'-cyclopropane]-2-yl)ethyl]piperidine-2,6-dione

3-[2-(7-methyl-4-oxospiro[2,3-dihydronaphthalene-1,1'-cyclopropane]-2-yl)ethyl]piperidine-2,6-dione (PubChem CID 174323041) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is 3-[2-(7-methyl-4-oxospiro[2,3-dihydronaphthalene-1,1'-cyclopropane]-2-yl)ethyl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[2-(7-methyl-4-oxospiro[2,3-dihydronaphthalene-1,1'-cyclopropane]-2-yl)ethyl]piperidine-2,6-dione
PubChem CID174323041
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name3-[2-(7-methyl-4-oxospiro[2,3-dihydronaphthalene-1,1'-cyclopropane]-2-yl)ethyl]piperidine-2,6-dione
SMILESCc1ccc2c(c1)C1(CC1)C(CCC1CCC(=O)NC1=O)CC2=O
InChIInChI=1S/C20H23NO3/c1-12-2-6-15-16(10-12)20(8-9-20)14(11-17(15)22)5-3-13-4-7-18(23)21-19(13)24/h2,6,10,13-14H,3-5,7-9,11H2,1H3,(H,21,23,24)
InChIKeyLOGWNEXMACNZPP-UHFFFAOYSA-N
XLogP3.06
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(7-methyl-4-oxospiro[2,3-dihydronaphthalene-1,1'-cyclopropane]-2-yl)ethyl]piperidine-2,6-dione?
The IUPAC name of 3-[2-(7-methyl-4-oxospiro[2,3-dihydronaphthalene-1,1'-cyclopropane]-2-yl)ethyl]piperidine-2,6-dione (CID 174323041) is 3-[2-(7-methyl-4-oxospiro[2,3-dihydronaphthalene-1,1'-cyclopropane]-2-yl)ethyl]piperidine-2,6-dione.
What is the SMILES notation for 3-[2-(7-methyl-4-oxospiro[2,3-dihydronaphthalene-1,1'-cyclopropane]-2-yl)ethyl]piperidine-2,6-dione?
The canonical SMILES for 3-[2-(7-methyl-4-oxospiro[2,3-dihydronaphthalene-1,1'-cyclopropane]-2-yl)ethyl]piperidine-2,6-dione is Cc1ccc2c(c1)C1(CC1)C(CCC1CCC(=O)NC1=O)CC2=O.
What is the InChIKey of 3-[2-(7-methyl-4-oxospiro[2,3-dihydronaphthalene-1,1'-cyclopropane]-2-yl)ethyl]piperidine-2,6-dione?
The InChIKey is LOGWNEXMACNZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-12-2-6-15-16(10-12)20(8-9-20)14(11-17(15)22)5-3-13-4-7-18(23)21-19(13)24/h2,6,10,13-14H,3-5,7-9,11H2,1H3,(H,21,23,24).
What are the key properties of 3-[2-(7-methyl-4-oxospiro[2,3-dihydronaphthalene-1,1'-cyclopropane]-2-yl)ethyl]piperidine-2,6-dione?
3-[2-(7-methyl-4-oxospiro[2,3-dihydronaphthalene-1,1'-cyclopropane]-2-yl)ethyl]piperidine-2,6-dione has a molecular weight of 325.41 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(7-methyl-4-oxospiro[2,3-dihydronaphthalene-1,1'-cyclopropane]-2-yl)ethyl]piperidine-2,6-dione is sourced from PubChem (CID 174323041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).