ethane;1'-methylspiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-8aH-cyclohepta[b]pyrrole]-2'-one

C20H21NO4 — CID 143309414

IUPACethane;1'-methylspiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-8aH-cyclohepta[b]pyrrole]-2'-one
SMILESCC.CN1C(=O)C2(COc3cc4c(cc32)OCO4)C2=CC=CC=CC21
InChIInChI=1S/C18H15NO4.C2H6/c1-19-13-6-4-2-3-5-11(13)18(17(19)20)9-21-14-8-16-15(7-12(14)18)22-10-23-16;1-2/h2-8,13H,9-10H2,1H3;1-2H3
InChIKeyPHRHFWVAHGUYKQ-UHFFFAOYSA-N
MW339.39 g/mol
LogP2.96
Rot. Bonds

About ethane;1'-methylspiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-8aH-cyclohepta[b]pyrrole]-2'-one

ethane;1'-methylspiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-8aH-cyclohepta[b]pyrrole]-2'-one (PubChem CID 143309414) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is ethane;1'-methylspiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-8aH-cyclohepta[b]pyrrole]-2'-one.

Molecular Properties

Compound Nameethane;1'-methylspiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-8aH-cyclohepta[b]pyrrole]-2'-one
PubChem CID143309414
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC Nameethane;1'-methylspiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-8aH-cyclohepta[b]pyrrole]-2'-one
SMILESCC.CN1C(=O)C2(COc3cc4c(cc32)OCO4)C2=CC=CC=CC21
InChIInChI=1S/C18H15NO4.C2H6/c1-19-13-6-4-2-3-5-11(13)18(17(19)20)9-21-14-8-16-15(7-12(14)18)22-10-23-16;1-2/h2-8,13H,9-10H2,1H3;1-2H3
InChIKeyPHRHFWVAHGUYKQ-UHFFFAOYSA-N
XLogP2.96
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4'-(4-methoxyphenyl)-1'-pentylspiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
CID 66641849
1'-(thiophen-2-ylmethyl)spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
CID 59263336
1'-[(1-methyl-6-oxo-3-pyridinyl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
CID 59263496
1'-(trifluoromethyl)spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
CID 68599447
1'-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
CID 59263410
1'-pentylspiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-pyrrolo[2,3-b]pyridine]-2'-one
CID 11848303
4'-(4-fluorophenyl)-1'-pentylspiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
CID 66642016
1'-(naphthalen-1-ylmethyl)spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
CID 66642072
1'-[3-(dibenzylamino)propyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
CID 66643379
4'-(2,4-dimethoxyphenyl)-1'-pentylspiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
CID 66641992
1'-(4,4,4-trifluorobutyl)spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
CID 66641983
4-(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)butanenitrile
CID 66642446

Frequently Asked Questions

What is the IUPAC name of ethane;1'-methylspiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-8aH-cyclohepta[b]pyrrole]-2'-one?
The IUPAC name of ethane;1'-methylspiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-8aH-cyclohepta[b]pyrrole]-2'-one (CID 143309414) is ethane;1'-methylspiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-8aH-cyclohepta[b]pyrrole]-2'-one.
What is the SMILES notation for ethane;1'-methylspiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-8aH-cyclohepta[b]pyrrole]-2'-one?
The canonical SMILES for ethane;1'-methylspiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-8aH-cyclohepta[b]pyrrole]-2'-one is CC.CN1C(=O)C2(COc3cc4c(cc32)OCO4)C2=CC=CC=CC21.
What is the InChIKey of ethane;1'-methylspiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-8aH-cyclohepta[b]pyrrole]-2'-one?
The InChIKey is PHRHFWVAHGUYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO4.C2H6/c1-19-13-6-4-2-3-5-11(13)18(17(19)20)9-21-14-8-16-15(7-12(14)18)22-10-23-16;1-2/h2-8,13H,9-10H2,1H3;1-2H3.
What are the key properties of ethane;1'-methylspiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-8aH-cyclohepta[b]pyrrole]-2'-one?
ethane;1'-methylspiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-8aH-cyclohepta[b]pyrrole]-2'-one has a molecular weight of 339.39 g/mol, XLogP of 2.96, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1'-methylspiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-8aH-cyclohepta[b]pyrrole]-2'-one is sourced from PubChem (CID 143309414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).