5-ethenyl-3-methylspiro[12-oxa-3-azatetracyclo[7.2.1.02,6.05,11]dodecane-8,3'-1H-indole]-2'-one

C20H22N2O2 — CID 162976206

IUPAC5-ethenyl-3-methylspiro[12-oxa-3-azatetracyclo[7.2.1.02,6.05,11]dodecane-8,3'-1H-indole]-2'-one
SMILESC=CC12CN(C)C3C4OC(CC41)C1(CC32)C(=O)Nc2ccccc21
InChIInChI=1S/C20H22N2O2/c1-3-19-10-22(2)16-13(19)9-20(15-8-12(19)17(16)24-15)11-6-4-5-7-14(11)21-18(20)23/h3-7,12-13,15-17H,1,8-10H2,2H3,(H,21,23)
InChIKeyVJWIXTLPDOVKPN-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.17
Rot. Bonds1

About 5-ethenyl-3-methylspiro[12-oxa-3-azatetracyclo[7.2.1.02,6.05,11]dodecane-8,3'-1H-indole]-2'-one

5-ethenyl-3-methylspiro[12-oxa-3-azatetracyclo[7.2.1.02,6.05,11]dodecane-8,3'-1H-indole]-2'-one (PubChem CID 162976206) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 5-ethenyl-3-methylspiro[12-oxa-3-azatetracyclo[7.2.1.02,6.05,11]dodecane-8,3'-1H-indole]-2'-one.

Molecular Properties

Compound Name5-ethenyl-3-methylspiro[12-oxa-3-azatetracyclo[7.2.1.02,6.05,11]dodecane-8,3'-1H-indole]-2'-one
PubChem CID162976206
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name5-ethenyl-3-methylspiro[12-oxa-3-azatetracyclo[7.2.1.02,6.05,11]dodecane-8,3'-1H-indole]-2'-one
SMILESC=CC12CN(C)C3C4OC(CC41)C1(CC32)C(=O)Nc2ccccc21
InChIInChI=1S/C20H22N2O2/c1-3-19-10-22(2)16-13(19)9-20(15-8-12(19)17(16)24-15)11-6-4-5-7-14(11)21-18(20)23/h3-7,12-13,15-17H,1,8-10H2,2H3,(H,21,23)
InChIKeyVJWIXTLPDOVKPN-UHFFFAOYSA-N
XLogP2.17
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1'R,2'S,3S,6'S,8'R)-2'-ethenyl-4'-methylspiro[1H-indole-3,7'-9-oxa-4-azatetracyclo[6.3.1.02,6.05,11]dodecane]-2-one
CID 71308207
(2'R,3R,6'R,8'S,11'R)-2'-ethenyl-4'-methylspiro[1H-indole-3,7'-9-oxa-4-azatetracyclo[6.3.1.02,6.05,11]dodecane]-2-one
CID 171363585
(2'S,3R,6'S)-2'-ethenyl-4'-methylspiro[1H-indole-3,7'-9-oxa-4-azatetracyclo[6.3.1.02,6.05,11]dodecane]-2-one
CID 131676201
(1'R,3S,8'S,11'R)-2'-ethenyl-4'-methylspiro[1H-indole-3,7'-9-oxa-4-azatetracyclo[6.3.1.02,6.05,11]dodecane]-2-one
CID 129316926
(1'R,3R)-2'-ethenyl-4'-methylspiro[1H-indole-3,7'-9-oxa-4-azatetracyclo[6.3.1.02,6.05,11]dodecane]-2-one
CID 162947359
(1'R,3R,8'S)-2'-ethenyl-4'-methylspiro[1H-indole-3,7'-9-oxa-4-azatetracyclo[6.3.1.02,6.05,11]dodecane]-2,3'-dione
CID 135014276
(1R,2S,4S,7E,8R,9S)-7-ethylidene-5-methylspiro[11-oxa-5-azatricyclo[6.3.1.04,9]dodecane-2,3'-1H-indole]-2'-one
CID 163188162
(1S,2R,5R,6R,7R,8S,11R)-2-ethenyl-1'-methoxy-4-methylspiro[9-oxa-4-azatetracyclo[6.3.1.02,6.05,11]dodecane-7,3'-indole]-2'-one
CID 162941590
(3S,5'S,6'S,8'R,11'S)-2'-ethenylspiro[1H-indole-3,7'-9-oxa-4-azatetracyclo[6.3.1.02,6.05,11]dodecane]-2-one
CID 164610079
(1'R,3R,8'S)-4'-methyl-2,3'-dioxospiro[1H-indole-3,7'-9-oxa-4-azatetracyclo[6.3.1.02,6.05,11]dodecane]-2'-carbaldehyde
CID 135014111
2'-[2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]ethyl]spiro[1H-indole-3,1'-cyclopropane]-2-one
CID 123234321
1'-(3-methylbutyl)spiro[1H-indole-3,3'-azetidine]-2-one
CID 134791223

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-3-methylspiro[12-oxa-3-azatetracyclo[7.2.1.02,6.05,11]dodecane-8,3'-1H-indole]-2'-one?
The IUPAC name of 5-ethenyl-3-methylspiro[12-oxa-3-azatetracyclo[7.2.1.02,6.05,11]dodecane-8,3'-1H-indole]-2'-one (CID 162976206) is 5-ethenyl-3-methylspiro[12-oxa-3-azatetracyclo[7.2.1.02,6.05,11]dodecane-8,3'-1H-indole]-2'-one.
What is the SMILES notation for 5-ethenyl-3-methylspiro[12-oxa-3-azatetracyclo[7.2.1.02,6.05,11]dodecane-8,3'-1H-indole]-2'-one?
The canonical SMILES for 5-ethenyl-3-methylspiro[12-oxa-3-azatetracyclo[7.2.1.02,6.05,11]dodecane-8,3'-1H-indole]-2'-one is C=CC12CN(C)C3C4OC(CC41)C1(CC32)C(=O)Nc2ccccc21.
What is the InChIKey of 5-ethenyl-3-methylspiro[12-oxa-3-azatetracyclo[7.2.1.02,6.05,11]dodecane-8,3'-1H-indole]-2'-one?
The InChIKey is VJWIXTLPDOVKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-3-19-10-22(2)16-13(19)9-20(15-8-12(19)17(16)24-15)11-6-4-5-7-14(11)21-18(20)23/h3-7,12-13,15-17H,1,8-10H2,2H3,(H,21,23).
What are the key properties of 5-ethenyl-3-methylspiro[12-oxa-3-azatetracyclo[7.2.1.02,6.05,11]dodecane-8,3'-1H-indole]-2'-one?
5-ethenyl-3-methylspiro[12-oxa-3-azatetracyclo[7.2.1.02,6.05,11]dodecane-8,3'-1H-indole]-2'-one has a molecular weight of 322.41 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-3-methylspiro[12-oxa-3-azatetracyclo[7.2.1.02,6.05,11]dodecane-8,3'-1H-indole]-2'-one is sourced from PubChem (CID 162976206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).