15-prop-2-enyl-15-azatetracyclo[7.5.2.01,10.02,7]hexadeca-5,7,9-triene

C18H23N — CID 67911087

IUPAC15-prop-2-enyl-15-azatetracyclo[7.5.2.01,10.02,7]hexadeca-5,7,9-triene
SMILESC=CCN1CC2=C3CCCCC31C1CCC=CC1=C2
InChIInChI=1S/C18H23N/c1-2-11-19-13-15-12-14-7-3-4-8-16(14)18(19)10-6-5-9-17(15)18/h2-3,7,12,16H,1,4-6,8-11,13H2
InChIKeyKCRWTFKMWMDEDS-UHFFFAOYSA-N
MW253.39 g/mol
LogP4.00
Rot. Bonds2

About 15-prop-2-enyl-15-azatetracyclo[7.5.2.01,10.02,7]hexadeca-5,7,9-triene

15-prop-2-enyl-15-azatetracyclo[7.5.2.01,10.02,7]hexadeca-5,7,9-triene (PubChem CID 67911087) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is 15-prop-2-enyl-15-azatetracyclo[7.5.2.01,10.02,7]hexadeca-5,7,9-triene.

Molecular Properties

Compound Name15-prop-2-enyl-15-azatetracyclo[7.5.2.01,10.02,7]hexadeca-5,7,9-triene
PubChem CID67911087
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC Name15-prop-2-enyl-15-azatetracyclo[7.5.2.01,10.02,7]hexadeca-5,7,9-triene
SMILESC=CCN1CC2=C3CCCCC31C1CCC=CC1=C2
InChIInChI=1S/C18H23N/c1-2-11-19-13-15-12-14-7-3-4-8-16(14)18(19)10-6-5-9-17(15)18/h2-3,7,12,16H,1,4-6,8-11,13H2
InChIKeyKCRWTFKMWMDEDS-UHFFFAOYSA-N
XLogP4.00
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 15-prop-2-enyl-15-azatetracyclo[7.5.2.01,10.02,7]hexadeca-5,7,9-triene?
The IUPAC name of 15-prop-2-enyl-15-azatetracyclo[7.5.2.01,10.02,7]hexadeca-5,7,9-triene (CID 67911087) is 15-prop-2-enyl-15-azatetracyclo[7.5.2.01,10.02,7]hexadeca-5,7,9-triene.
What is the SMILES notation for 15-prop-2-enyl-15-azatetracyclo[7.5.2.01,10.02,7]hexadeca-5,7,9-triene?
The canonical SMILES for 15-prop-2-enyl-15-azatetracyclo[7.5.2.01,10.02,7]hexadeca-5,7,9-triene is C=CCN1CC2=C3CCCCC31C1CCC=CC1=C2.
What is the InChIKey of 15-prop-2-enyl-15-azatetracyclo[7.5.2.01,10.02,7]hexadeca-5,7,9-triene?
The InChIKey is KCRWTFKMWMDEDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N/c1-2-11-19-13-15-12-14-7-3-4-8-16(14)18(19)10-6-5-9-17(15)18/h2-3,7,12,16H,1,4-6,8-11,13H2.
What are the key properties of 15-prop-2-enyl-15-azatetracyclo[7.5.2.01,10.02,7]hexadeca-5,7,9-triene?
15-prop-2-enyl-15-azatetracyclo[7.5.2.01,10.02,7]hexadeca-5,7,9-triene has a molecular weight of 253.39 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 15-prop-2-enyl-15-azatetracyclo[7.5.2.01,10.02,7]hexadeca-5,7,9-triene is sourced from PubChem (CID 67911087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).