(10Z)-spiro[1-azatricyclo[6.5.1.04,14]tetradeca-3,8(14),10-triene-13,7'-6H-furo[2,3-f][1,3]benzodioxole]-12-one

C21H19NO4 — CID 87387292

IUPAC(10Z)-spiro[1-azatricyclo[6.5.1.04,14]tetradeca-3,8(14),10-triene-13,7'-6H-furo[2,3-f][1,3]benzodioxole]-12-one
SMILESO=C1/C=C\CC2=C3C(=CCN3C13COc1cc4c(cc13)OCO4)CCC2
InChIInChI=1S/C21H19NO4/c23-19-6-2-5-13-3-1-4-14-7-8-22(20(13)14)21(19)11-24-16-10-18-17(9-15(16)21)25-12-26-18/h2,6-7,9-10H,1,3-5,8,11-12H2/b6-2-
InChIKeyCDDQFBQKGRKJRE-KXFIGUGUSA-N
MW349.39 g/mol
LogP3.21
Rot. Bonds

About (10Z)-spiro[1-azatricyclo[6.5.1.04,14]tetradeca-3,8(14),10-triene-13,7'-6H-furo[2,3-f][1,3]benzodioxole]-12-one

(10Z)-spiro[1-azatricyclo[6.5.1.04,14]tetradeca-3,8(14),10-triene-13,7'-6H-furo[2,3-f][1,3]benzodioxole]-12-one (PubChem CID 87387292) has the molecular formula C21H19NO4 and a molecular weight of 349.39 g/mol. Its IUPAC name is (10Z)-spiro[1-azatricyclo[6.5.1.04,14]tetradeca-3,8(14),10-triene-13,7'-6H-furo[2,3-f][1,3]benzodioxole]-12-one.

Molecular Properties

Compound Name(10Z)-spiro[1-azatricyclo[6.5.1.04,14]tetradeca-3,8(14),10-triene-13,7'-6H-furo[2,3-f][1,3]benzodioxole]-12-one
PubChem CID87387292
Molecular FormulaC21H19NO4
Molecular Weight349.39 g/mol
Exact Mass349.13
IUPAC Name(10Z)-spiro[1-azatricyclo[6.5.1.04,14]tetradeca-3,8(14),10-triene-13,7'-6H-furo[2,3-f][1,3]benzodioxole]-12-one
SMILESO=C1/C=C\CC2=C3C(=CCN3C13COc1cc4c(cc13)OCO4)CCC2
InChIInChI=1S/C21H19NO4/c23-19-6-2-5-13-3-1-4-14-7-8-22(20(13)14)21(19)11-24-16-10-18-17(9-15(16)21)25-12-26-18/h2,6-7,9-10H,1,3-5,8,11-12H2/b6-2-
InChIKeyCDDQFBQKGRKJRE-KXFIGUGUSA-N
XLogP3.21
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (10Z)-spiro[1-azatricyclo[6.5.1.04,14]tetradeca-3,8(14),10-triene-13,7'-6H-furo[2,3-f][1,3]benzodioxole]-12-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-5,7-dioxa-14-azapentacyclo[12.7.0.01,17.02,10.04,8]henicosa-2,4(8),9,16,18-pentaene
CID 102318517
1'-(trifluoromethyl)spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
CID 68599447
5-methyl-6H-[1,3]dioxolo[4,5-g]quinoline
CID 152590822
1-[6-(difluoromethyl)-1,3-benzodioxol-5-yl]cyclopropan-1-amine
CID 84791254
ethane;1'-methylspiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-8aH-cyclohepta[b]pyrrole]-2'-one
CID 143309414
1'-(oxolan-2-ylmethyl)spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
CID 66642705
1'-[(1-cyclopentylpiperidin-4-yl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one;hydrochloride
CID 66642390
1'-[3-(2-pyrrolidin-1-ylethylamino)propyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
CID 66642252
(2S,4R,5R,7S,13R)-5,13-dihydroxy-3,17,19-trioxa-11-azahexacyclo[12.7.0.02,4.02,7.07,11.016,20]henicosa-1(21),14,16(20)-trien-10-one
CID 175665041
4-(1,3-benzodioxol-5-yl)cyclohex-3-en-1-one
CID 59541914
spiro[3,4-dihydro-2H-pyrimido[1,2-a]indole-10,7'-6H-furo[2,3-f][1,3]benzodioxole]
CID 25226468
(1S,16S)-5,7-dioxa-13-azapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9-trien-14-one
CID 10957069

Frequently Asked Questions

What is the IUPAC name of (10Z)-spiro[1-azatricyclo[6.5.1.04,14]tetradeca-3,8(14),10-triene-13,7'-6H-furo[2,3-f][1,3]benzodioxole]-12-one?
The IUPAC name of (10Z)-spiro[1-azatricyclo[6.5.1.04,14]tetradeca-3,8(14),10-triene-13,7'-6H-furo[2,3-f][1,3]benzodioxole]-12-one (CID 87387292) is (10Z)-spiro[1-azatricyclo[6.5.1.04,14]tetradeca-3,8(14),10-triene-13,7'-6H-furo[2,3-f][1,3]benzodioxole]-12-one.
What is the SMILES notation for (10Z)-spiro[1-azatricyclo[6.5.1.04,14]tetradeca-3,8(14),10-triene-13,7'-6H-furo[2,3-f][1,3]benzodioxole]-12-one?
The canonical SMILES for (10Z)-spiro[1-azatricyclo[6.5.1.04,14]tetradeca-3,8(14),10-triene-13,7'-6H-furo[2,3-f][1,3]benzodioxole]-12-one is O=C1/C=C\CC2=C3C(=CCN3C13COc1cc4c(cc13)OCO4)CCC2.
What is the InChIKey of (10Z)-spiro[1-azatricyclo[6.5.1.04,14]tetradeca-3,8(14),10-triene-13,7'-6H-furo[2,3-f][1,3]benzodioxole]-12-one?
The InChIKey is CDDQFBQKGRKJRE-KXFIGUGUSA-N. The full InChI is InChI=1S/C21H19NO4/c23-19-6-2-5-13-3-1-4-14-7-8-22(20(13)14)21(19)11-24-16-10-18-17(9-15(16)21)25-12-26-18/h2,6-7,9-10H,1,3-5,8,11-12H2/b6-2-.
What are the key properties of (10Z)-spiro[1-azatricyclo[6.5.1.04,14]tetradeca-3,8(14),10-triene-13,7'-6H-furo[2,3-f][1,3]benzodioxole]-12-one?
(10Z)-spiro[1-azatricyclo[6.5.1.04,14]tetradeca-3,8(14),10-triene-13,7'-6H-furo[2,3-f][1,3]benzodioxole]-12-one has a molecular weight of 349.39 g/mol, XLogP of 3.21, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (10Z)-spiro[1-azatricyclo[6.5.1.04,14]tetradeca-3,8(14),10-triene-13,7'-6H-furo[2,3-f][1,3]benzodioxole]-12-one is sourced from PubChem (CID 87387292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).