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

C18H19NO — CID 143192387

IUPAC5-ethenyl-4-methylidene-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,8-tetraene
SMILESC=CC1=Cc2cc3c4c(c2OC1=C)CCCN4CCC3
InChIInChI=1S/C18H19NO/c1-3-13-10-15-11-14-6-4-8-19-9-5-7-16(17(14)19)18(15)20-12(13)2/h3,10-11H,1-2,4-9H2
InChIKeyZXPKTRSRJQZMAC-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.86
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

5-ethenyl-4-methylidene-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,8-tetraene (PubChem CID 143192387) has the molecular formula C18H19NO and a molecular weight of 265.36 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.

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
PubChem CID143192387
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name5-ethenyl-4-methylidene-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,8-tetraene
SMILESC=CC1=Cc2cc3c4c(c2OC1=C)CCCN4CCC3
InChIInChI=1S/C18H19NO/c1-3-13-10-15-11-14-6-4-8-19-9-5-7-16(17(14)19)18(15)20-12(13)2/h3,10-11H,1-2,4-9H2
InChIKeyZXPKTRSRJQZMAC-UHFFFAOYSA-N
XLogP3.86
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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;methanol
CID 143192386
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
6-(trifluoromethyl)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),8-trien-4-one
CID 175647655
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
1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-carboxylic acid
CID 116993414
6-fluoro-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene
CID 138981773
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
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
2'-aminospiro[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 162692221

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?
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 (CID 143192387) is 5-ethenyl-4-methylidene-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,8-tetraene.
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?
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 is C=CC1=Cc2cc3c4c(c2OC1=C)CCCN4CCC3.
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?
The InChIKey is ZXPKTRSRJQZMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-3-13-10-15-11-14-6-4-8-19-9-5-7-16(17(14)19)18(15)20-12(13)2/h3,10-11H,1-2,4-9H2.
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?
5-ethenyl-4-methylidene-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,8-tetraene has a molecular weight of 265.36 g/mol, XLogP of 3.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 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 is sourced from PubChem (CID 143192387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).