ethane;3-(5-methyl-2-oxo-3,4-dihydrocyclohepta[b]pyrrol-1-yl)piperidine-2,6-dione

C17H22N2O3 — CID 177010708

IUPACethane;3-(5-methyl-2-oxo-3,4-dihydrocyclohepta[b]pyrrol-1-yl)piperidine-2,6-dione
SMILESCC.CC1=CC=CC2=C(CC(=O)N2C2CCC(=O)NC2=O)C1
InChIInChI=1S/C15H16N2O3.C2H6/c1-9-3-2-4-11-10(7-9)8-14(19)17(11)12-5-6-13(18)16-15(12)20;1-2/h2-4,12H,5-8H2,1H3,(H,16,18,20);1-2H3
InChIKeyKIAJPCWNOPXXCQ-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.21
Rot. Bonds1

About ethane;3-(5-methyl-2-oxo-3,4-dihydrocyclohepta[b]pyrrol-1-yl)piperidine-2,6-dione

ethane;3-(5-methyl-2-oxo-3,4-dihydrocyclohepta[b]pyrrol-1-yl)piperidine-2,6-dione (PubChem CID 177010708) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is ethane;3-(5-methyl-2-oxo-3,4-dihydrocyclohepta[b]pyrrol-1-yl)piperidine-2,6-dione.

Molecular Properties

Compound Nameethane;3-(5-methyl-2-oxo-3,4-dihydrocyclohepta[b]pyrrol-1-yl)piperidine-2,6-dione
PubChem CID177010708
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Nameethane;3-(5-methyl-2-oxo-3,4-dihydrocyclohepta[b]pyrrol-1-yl)piperidine-2,6-dione
SMILESCC.CC1=CC=CC2=C(CC(=O)N2C2CCC(=O)NC2=O)C1
InChIInChI=1S/C15H16N2O3.C2H6/c1-9-3-2-4-11-10(7-9)8-14(19)17(11)12-5-6-13(18)16-15(12)20;1-2/h2-4,12H,5-8H2,1H3,(H,16,18,20);1-2H3
InChIKeyKIAJPCWNOPXXCQ-UHFFFAOYSA-N
XLogP2.21
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethane;3-(5-methyl-2-oxo-3,4-dihydrocyclohepta[b]pyrrol-1-yl)piperidine-2,6-dione with MolForge

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Related Compounds

3-[(5Z,7Z)-2-butyl-8-methyl-10-oxo-4,9-dihydro-1,3-diazecin-1-yl]piperidine-2,6-dione
CID 67472020
(3R)-3-(2,5-dioxopyrrolidin-1-yl)piperidine-2,6-dione
CID 121493318
3-(3-hydroxy-2,12-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,5,7,9-pentaen-2-yl)piperidine-2,6-dione
CID 167009263
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;ethane
CID 91469620
(3R)-3-[(3R)-3-methyl-2,5-dioxopyrrolidin-1-yl]piperidine-2,6-dione
CID 124564806
3-(2,5-dimethyl-4-oxo-4a,8a-dihydroquinazolin-3-yl)piperidine-2,6-dione
CID 129170693
2-(2,6-dioxopiperidin-3-yl)-5-methylisoindole-1,3-dione;ethane
CID 142365131
(1S,5R)-3-[(3R)-2,6-dioxopiperidin-3-yl]-3-azabicyclo[3.2.0]heptane-2,4-dione
CID 139075948
2-(2,6-dioxo(115N)azinan-3-yl)isoindole-1,3-dione
CID 46898665
2-(2,6-dioxo(513C)azinan-3-yl)isoindole-1,3-dione
CID 46898587
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 161120100
3-[(3E)-3-ethylidene-4-methylidene-2,5-dioxopyrrolidin-1-yl]piperidine-2,6-dione
CID 170609618

Frequently Asked Questions

What is the IUPAC name of ethane;3-(5-methyl-2-oxo-3,4-dihydrocyclohepta[b]pyrrol-1-yl)piperidine-2,6-dione?
The IUPAC name of ethane;3-(5-methyl-2-oxo-3,4-dihydrocyclohepta[b]pyrrol-1-yl)piperidine-2,6-dione (CID 177010708) is ethane;3-(5-methyl-2-oxo-3,4-dihydrocyclohepta[b]pyrrol-1-yl)piperidine-2,6-dione.
What is the SMILES notation for ethane;3-(5-methyl-2-oxo-3,4-dihydrocyclohepta[b]pyrrol-1-yl)piperidine-2,6-dione?
The canonical SMILES for ethane;3-(5-methyl-2-oxo-3,4-dihydrocyclohepta[b]pyrrol-1-yl)piperidine-2,6-dione is CC.CC1=CC=CC2=C(CC(=O)N2C2CCC(=O)NC2=O)C1.
What is the InChIKey of ethane;3-(5-methyl-2-oxo-3,4-dihydrocyclohepta[b]pyrrol-1-yl)piperidine-2,6-dione?
The InChIKey is KIAJPCWNOPXXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3.C2H6/c1-9-3-2-4-11-10(7-9)8-14(19)17(11)12-5-6-13(18)16-15(12)20;1-2/h2-4,12H,5-8H2,1H3,(H,16,18,20);1-2H3.
What are the key properties of ethane;3-(5-methyl-2-oxo-3,4-dihydrocyclohepta[b]pyrrol-1-yl)piperidine-2,6-dione?
ethane;3-(5-methyl-2-oxo-3,4-dihydrocyclohepta[b]pyrrol-1-yl)piperidine-2,6-dione has a molecular weight of 302.37 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(5-methyl-2-oxo-3,4-dihydrocyclohepta[b]pyrrol-1-yl)piperidine-2,6-dione is sourced from PubChem (CID 177010708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).