(10Z)-10-[(Z)-pent-2-en-4-ynylidene]-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,11,13-hexaene

C19H13N — CID 167253368

IUPAC(10Z)-10-[(Z)-pent-2-en-4-ynylidene]-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,11,13-hexaene
SMILESC#C/C=C\C=C1/Cn2c3ccccc3c3cccc1c32
InChIInChI=1S/C19H13N/c1-2-3-4-8-14-13-20-18-12-6-5-9-16(18)17-11-7-10-15(14)19(17)20/h1,3-12H,13H2/b4-3-,14-8+
InChIKeyJKXUHHOZGBNSIY-ZEFAFFGOSA-N
MW255.32 g/mol
LogP4.38
Rot. Bonds1

About (10Z)-10-[(Z)-pent-2-en-4-ynylidene]-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,11,13-hexaene

(10Z)-10-[(Z)-pent-2-en-4-ynylidene]-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,11,13-hexaene (PubChem CID 167253368) has the molecular formula C19H13N and a molecular weight of 255.32 g/mol. Its IUPAC name is (10Z)-10-[(Z)-pent-2-en-4-ynylidene]-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,11,13-hexaene.

Molecular Properties

Compound Name(10Z)-10-[(Z)-pent-2-en-4-ynylidene]-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,11,13-hexaene
PubChem CID167253368
Molecular FormulaC19H13N
Molecular Weight255.32 g/mol
Exact Mass255.10
IUPAC Name(10Z)-10-[(Z)-pent-2-en-4-ynylidene]-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,11,13-hexaene
SMILESC#C/C=C\C=C1/Cn2c3ccccc3c3cccc1c32
InChIInChI=1S/C19H13N/c1-2-3-4-8-14-13-20-18-12-6-5-9-16(18)17-11-7-10-15(14)19(17)20/h1,3-12H,13H2/b4-3-,14-8+
InChIKeyJKXUHHOZGBNSIY-ZEFAFFGOSA-N
XLogP4.38
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (10Z)-10-[(Z)-pent-2-en-4-ynylidene]-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,11,13-hexaene with MolForge

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Related Compounds

2,2,2-trifluoro-1-(4-hydroxy-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5,7,9(16),10,12,14-heptaen-3-yl)ethanone
CID 175841087
1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5,7,9(16),10,12,14-heptaen-3-amine
CID 102253898
13-aza-11-azoniahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1(23),2(11),3,5,7,9,14,16,18,20(24),21-undecaene
CID 20784034
19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1,3,5,7,9,11,13,15,17-nonaene
CID 12951299
CID 176917271
CID 176917271
(3E)-3-(dimethylaminomethylidene)-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10,12,14-hexaen-4-one
CID 46196886
5,10-di(carbazol-9-yl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaene
CID 155005571
3-[(Z)-but-1-en-3-ynyl]-6-[2-(2-carbazol-9-ylphenyl)phenyl]-1,1,2-trimethylcyclopenta[c]carbazole
CID 126695406
[(E)-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10,12,14-hexaen-4-ylideneamino] acetate
CID 89151275
CID 176917250
CID 176917250
14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene-10,11-dicarbonitrile
CID 121386164
N,N-bis(4-phenylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-5-amine
CID 123485955

Frequently Asked Questions

What is the IUPAC name of (10Z)-10-[(Z)-pent-2-en-4-ynylidene]-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,11,13-hexaene?
The IUPAC name of (10Z)-10-[(Z)-pent-2-en-4-ynylidene]-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,11,13-hexaene (CID 167253368) is (10Z)-10-[(Z)-pent-2-en-4-ynylidene]-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,11,13-hexaene.
What is the SMILES notation for (10Z)-10-[(Z)-pent-2-en-4-ynylidene]-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,11,13-hexaene?
The canonical SMILES for (10Z)-10-[(Z)-pent-2-en-4-ynylidene]-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,11,13-hexaene is C#C/C=C\C=C1/Cn2c3ccccc3c3cccc1c32.
What is the InChIKey of (10Z)-10-[(Z)-pent-2-en-4-ynylidene]-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,11,13-hexaene?
The InChIKey is JKXUHHOZGBNSIY-ZEFAFFGOSA-N. The full InChI is InChI=1S/C19H13N/c1-2-3-4-8-14-13-20-18-12-6-5-9-16(18)17-11-7-10-15(14)19(17)20/h1,3-12H,13H2/b4-3-,14-8+.
What are the key properties of (10Z)-10-[(Z)-pent-2-en-4-ynylidene]-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,11,13-hexaene?
(10Z)-10-[(Z)-pent-2-en-4-ynylidene]-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,11,13-hexaene has a molecular weight of 255.32 g/mol, XLogP of 4.38, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (10Z)-10-[(Z)-pent-2-en-4-ynylidene]-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,11,13-hexaene is sourced from PubChem (CID 167253368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).