5-ethenyl-4-methylidene-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,8-tetraene;methanol

C19H23NO2 — CID 143192386

IUPAC5-ethenyl-4-methylidene-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,8-tetraene;methanol
SMILESC=CC1=Cc2cc3c4c(c2OC1=C)CCCN4CCC3.CO
InChIInChI=1S/C18H19NO.CH4O/c1-3-13-10-15-11-14-6-4-8-19-9-5-7-16(17(14)19)18(15)20-12(13)2;1-2/h3,10-11H,1-2,4-9H2;2H,1H3
InChIKeyUXDXHAIQVSCYMV-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.47
Rot. Bonds1

About 5-ethenyl-4-methylidene-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,8-tetraene;methanol

5-ethenyl-4-methylidene-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,8-tetraene;methanol (PubChem CID 143192386) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 5-ethenyl-4-methylidene-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,8-tetraene;methanol.

Molecular Properties

Compound Name5-ethenyl-4-methylidene-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,8-tetraene;methanol
PubChem CID143192386
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name5-ethenyl-4-methylidene-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,8-tetraene;methanol
SMILESC=CC1=Cc2cc3c4c(c2OC1=C)CCCN4CCC3.CO
InChIInChI=1S/C18H19NO.CH4O/c1-3-13-10-15-11-14-6-4-8-19-9-5-7-16(17(14)19)18(15)20-12(13)2;1-2/h3,10-11H,1-2,4-9H2;2H,1H3
InChIKeyUXDXHAIQVSCYMV-UHFFFAOYSA-N
XLogP3.47
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Related Compounds

5-ethenyl-4-methylidene-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,8-tetraene
CID 143192387
CID 101242759
CID 101242759
5-methylidene-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),8-trien-4-one
CID 123448751
7-iodo-6-methyl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene
CID 146667407
1-(6-hydroxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-7-yl)-2,2-dimethylpropan-1-one
CID 169026628
1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-carboxylic acid
CID 116993414
6-(trifluoromethyl)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),8-trien-4-one
CID 175647655
16-propan-2-yl-3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaene
CID 123260412
2'-prop-2-enylspiro[3-oxa-9,23-diazaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4(15),5(28),13,18-hexaene-16,3'-isoindole]-1'-one
CID 144605931
12-methylidene-5-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1(15),9(16),10(14)-trien-13-one
CID 20707399
10,10-dimethyl-5-[(E)-prop-1-enyl]-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-ol
CID 134593491
6-fluoro-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene
CID 138981773

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-4-methylidene-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,8-tetraene;methanol?
The IUPAC name of 5-ethenyl-4-methylidene-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,8-tetraene;methanol (CID 143192386) is 5-ethenyl-4-methylidene-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,8-tetraene;methanol.
What is the SMILES notation for 5-ethenyl-4-methylidene-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,8-tetraene;methanol?
The canonical SMILES for 5-ethenyl-4-methylidene-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,8-tetraene;methanol is C=CC1=Cc2cc3c4c(c2OC1=C)CCCN4CCC3.CO.
What is the InChIKey of 5-ethenyl-4-methylidene-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,8-tetraene;methanol?
The InChIKey is UXDXHAIQVSCYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO.CH4O/c1-3-13-10-15-11-14-6-4-8-19-9-5-7-16(17(14)19)18(15)20-12(13)2;1-2/h3,10-11H,1-2,4-9H2;2H,1H3.
What are the key properties of 5-ethenyl-4-methylidene-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,8-tetraene;methanol?
5-ethenyl-4-methylidene-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,8-tetraene;methanol has a molecular weight of 297.40 g/mol, XLogP of 3.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-4-methylidene-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,8-tetraene;methanol is sourced from PubChem (CID 143192386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).