(7Z)-4-[(Z,2R)-pent-3-en-2-yl]-6,10-diazatricyclo[10.4.0.02,5]hexadeca-1(16),3,7,9,12-pentaene

C19H24N2 — CID 155373383

IUPAC(7Z)-4-[(Z,2R)-pent-3-en-2-yl]-6,10-diazatricyclo[10.4.0.02,5]hexadeca-1(16),3,7,9,12-pentaene
SMILESC/C=C\[C@@H](C)C1=CC2C3=CCCC=C3C/N=C\C=C/NC12
InChIInChI=1S/C19H24N2/c1-3-7-14(2)17-12-18-16-9-5-4-8-15(16)13-20-10-6-11-21-19(17)18/h3,6-12,14,18-19,21H,4-5,13H2,1-2H3/b7-3-,11-6-,20-10-/t14-,18?,19?/m1/s1
InChIKeyJBUVOZKKOVDDTD-CPLUBELZSA-N
MW280.42 g/mol
LogP3.96
Rot. Bonds2

About (7Z)-4-[(Z,2R)-pent-3-en-2-yl]-6,10-diazatricyclo[10.4.0.02,5]hexadeca-1(16),3,7,9,12-pentaene

(7Z)-4-[(Z,2R)-pent-3-en-2-yl]-6,10-diazatricyclo[10.4.0.02,5]hexadeca-1(16),3,7,9,12-pentaene (PubChem CID 155373383) has the molecular formula C19H24N2 and a molecular weight of 280.42 g/mol. Its IUPAC name is (7Z)-4-[(Z,2R)-pent-3-en-2-yl]-6,10-diazatricyclo[10.4.0.02,5]hexadeca-1(16),3,7,9,12-pentaene.

Molecular Properties

Compound Name(7Z)-4-[(Z,2R)-pent-3-en-2-yl]-6,10-diazatricyclo[10.4.0.02,5]hexadeca-1(16),3,7,9,12-pentaene
PubChem CID155373383
Molecular FormulaC19H24N2
Molecular Weight280.42 g/mol
Exact Mass280.19
IUPAC Name(7Z)-4-[(Z,2R)-pent-3-en-2-yl]-6,10-diazatricyclo[10.4.0.02,5]hexadeca-1(16),3,7,9,12-pentaene
SMILESC/C=C\[C@@H](C)C1=CC2C3=CCCC=C3C/N=C\C=C/NC12
InChIInChI=1S/C19H24N2/c1-3-7-14(2)17-12-18-16-9-5-4-8-15(16)13-20-10-6-11-21-19(17)18/h3,6-12,14,18-19,21H,4-5,13H2,1-2H3/b7-3-,11-6-,20-10-/t14-,18?,19?/m1/s1
InChIKeyJBUVOZKKOVDDTD-CPLUBELZSA-N
XLogP3.96
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (7Z)-4-[(Z,2R)-pent-3-en-2-yl]-6,10-diazatricyclo[10.4.0.02,5]hexadeca-1(16),3,7,9,12-pentaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (7Z)-4-[(Z,2R)-pent-3-en-2-yl]-6,10-diazatricyclo[10.4.0.02,5]hexadeca-1(16),3,7,9,12-pentaene?
The IUPAC name of (7Z)-4-[(Z,2R)-pent-3-en-2-yl]-6,10-diazatricyclo[10.4.0.02,5]hexadeca-1(16),3,7,9,12-pentaene (CID 155373383) is (7Z)-4-[(Z,2R)-pent-3-en-2-yl]-6,10-diazatricyclo[10.4.0.02,5]hexadeca-1(16),3,7,9,12-pentaene.
What is the SMILES notation for (7Z)-4-[(Z,2R)-pent-3-en-2-yl]-6,10-diazatricyclo[10.4.0.02,5]hexadeca-1(16),3,7,9,12-pentaene?
The canonical SMILES for (7Z)-4-[(Z,2R)-pent-3-en-2-yl]-6,10-diazatricyclo[10.4.0.02,5]hexadeca-1(16),3,7,9,12-pentaene is C/C=C\[C@@H](C)C1=CC2C3=CCCC=C3C/N=C\C=C/NC12.
What is the InChIKey of (7Z)-4-[(Z,2R)-pent-3-en-2-yl]-6,10-diazatricyclo[10.4.0.02,5]hexadeca-1(16),3,7,9,12-pentaene?
The InChIKey is JBUVOZKKOVDDTD-CPLUBELZSA-N. The full InChI is InChI=1S/C19H24N2/c1-3-7-14(2)17-12-18-16-9-5-4-8-15(16)13-20-10-6-11-21-19(17)18/h3,6-12,14,18-19,21H,4-5,13H2,1-2H3/b7-3-,11-6-,20-10-/t14-,18?,19?/m1/s1.
What are the key properties of (7Z)-4-[(Z,2R)-pent-3-en-2-yl]-6,10-diazatricyclo[10.4.0.02,5]hexadeca-1(16),3,7,9,12-pentaene?
(7Z)-4-[(Z,2R)-pent-3-en-2-yl]-6,10-diazatricyclo[10.4.0.02,5]hexadeca-1(16),3,7,9,12-pentaene has a molecular weight of 280.42 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z)-4-[(Z,2R)-pent-3-en-2-yl]-6,10-diazatricyclo[10.4.0.02,5]hexadeca-1(16),3,7,9,12-pentaene is sourced from PubChem (CID 155373383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).