3-(2'-oxo-5'-propylspiro[cyclopropane-1,3'-indole]-1'-yl)piperidine-2,6-dione

C18H20N2O3 — CID 167471509

IUPAC3-(2'-oxo-5'-propylspiro[cyclopropane-1,3'-indole]-1'-yl)piperidine-2,6-dione
SMILESCCCc1ccc2c(c1)C1(CC1)C(=O)N2C1CCC(=O)NC1=O
InChIInChI=1S/C18H20N2O3/c1-2-3-11-4-5-13-12(10-11)18(8-9-18)17(23)20(13)14-6-7-15(21)19-16(14)22/h4-5,10,14H,2-3,6-9H2,1H3,(H,19,21,22)
InChIKeyQRVXIWPRMNIOCX-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.82
Rot. Bonds3

About 3-(2'-oxo-5'-propylspiro[cyclopropane-1,3'-indole]-1'-yl)piperidine-2,6-dione

3-(2'-oxo-5'-propylspiro[cyclopropane-1,3'-indole]-1'-yl)piperidine-2,6-dione (PubChem CID 167471509) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 3-(2'-oxo-5'-propylspiro[cyclopropane-1,3'-indole]-1'-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(2'-oxo-5'-propylspiro[cyclopropane-1,3'-indole]-1'-yl)piperidine-2,6-dione
PubChem CID167471509
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name3-(2'-oxo-5'-propylspiro[cyclopropane-1,3'-indole]-1'-yl)piperidine-2,6-dione
SMILESCCCc1ccc2c(c1)C1(CC1)C(=O)N2C1CCC(=O)NC1=O
InChIInChI=1S/C18H20N2O3/c1-2-3-11-4-5-13-12(10-11)18(8-9-18)17(23)20(13)14-6-7-15(21)19-16(14)22/h4-5,10,14H,2-3,6-9H2,1H3,(H,19,21,22)
InChIKeyQRVXIWPRMNIOCX-UHFFFAOYSA-N
XLogP1.82
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2'-oxo-6'-propan-2-ylspiro[cyclopropane-1,3'-indole]-1'-yl)piperidine-2,6-dione
CID 170009867
3-[2-oxo-5-[[4-(piperidin-4-ylmethyl)piperazin-1-yl]methyl]spiro[indole-3,4'-oxane]-1-yl]piperidine-2,6-dione
CID 177301922
(3R)-3-(3-oxo-5-propyl-1H-isoindol-2-yl)piperidine-2,6-dione
CID 174302674
3-(3-oxo-5-propyl-1H-isoindol-2-yl)piperidine-2,6-dione
CID 163614917
5-butyl-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 157474778
3-(3,3-dimethyl-2-oxo-6-prop-2-enylindol-1-yl)piperidine-2,6-dione
CID 166946007
tert-butyl 4-[[4-[1'-(2,6-dioxopiperidin-3-yl)-2'-oxospiro[cyclopropane-1,3'-indole]-5'-yl]piperazin-1-yl]methyl]piperidine-1-carboxylate
CID 177302156
CID 178005333
CID 178005333
3-[5-(2,2-dimethylpropyl)-2-oxo-3H-indol-1-yl]piperidine-2,6-dione
CID 162504449
3-(6-methyl-3-oxospiro[2H-quinoline-4,1'-cyclopropane]-1-yl)piperidine-2,6-dione
CID 177356532
ethane;3-[7-ethyl-4-oxo-6-[(Z)-prop-1-enyl]-5-azaspiro[2.4]hept-6-en-5-yl]piperidine-2,6-dione
CID 176987678
3-(6-ethyl-3,4-dihydro-2H-quinolin-1-yl)piperidine-2,6-dione
CID 170614731

Frequently Asked Questions

What is the IUPAC name of 3-(2'-oxo-5'-propylspiro[cyclopropane-1,3'-indole]-1'-yl)piperidine-2,6-dione?
The IUPAC name of 3-(2'-oxo-5'-propylspiro[cyclopropane-1,3'-indole]-1'-yl)piperidine-2,6-dione (CID 167471509) is 3-(2'-oxo-5'-propylspiro[cyclopropane-1,3'-indole]-1'-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(2'-oxo-5'-propylspiro[cyclopropane-1,3'-indole]-1'-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(2'-oxo-5'-propylspiro[cyclopropane-1,3'-indole]-1'-yl)piperidine-2,6-dione is CCCc1ccc2c(c1)C1(CC1)C(=O)N2C1CCC(=O)NC1=O.
What is the InChIKey of 3-(2'-oxo-5'-propylspiro[cyclopropane-1,3'-indole]-1'-yl)piperidine-2,6-dione?
The InChIKey is QRVXIWPRMNIOCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-2-3-11-4-5-13-12(10-11)18(8-9-18)17(23)20(13)14-6-7-15(21)19-16(14)22/h4-5,10,14H,2-3,6-9H2,1H3,(H,19,21,22).
What are the key properties of 3-(2'-oxo-5'-propylspiro[cyclopropane-1,3'-indole]-1'-yl)piperidine-2,6-dione?
3-(2'-oxo-5'-propylspiro[cyclopropane-1,3'-indole]-1'-yl)piperidine-2,6-dione has a molecular weight of 312.37 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2'-oxo-5'-propylspiro[cyclopropane-1,3'-indole]-1'-yl)piperidine-2,6-dione is sourced from PubChem (CID 167471509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).