4-prop-2-enyl-2-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)morpholine;hydrochloride

C23H26ClNO — CID 21415002

IUPAC4-prop-2-enyl-2-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)morpholine;hydrochloride
SMILESC=CCN1CCOC(CC23CC(c4ccccc42)c2ccccc23)C1.Cl
InChIInChI=1S/C23H25NO.ClH/c1-2-11-24-12-13-25-17(16-24)14-23-15-20(18-7-3-5-9-21(18)23)19-8-4-6-10-22(19)23;/h2-10,17,20H,1,11-16H2;1H
InChIKeyXZKKQQOHUPVPJN-UHFFFAOYSA-N
MW367.92 g/mol
LogP4.52
Rot. Bonds4

About 4-prop-2-enyl-2-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)morpholine;hydrochloride

4-prop-2-enyl-2-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)morpholine;hydrochloride (PubChem CID 21415002) has the molecular formula C23H26ClNO and a molecular weight of 367.92 g/mol. Its IUPAC name is 4-prop-2-enyl-2-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)morpholine;hydrochloride.

Molecular Properties

Compound Name4-prop-2-enyl-2-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)morpholine;hydrochloride
PubChem CID21415002
Molecular FormulaC23H26ClNO
Molecular Weight367.92 g/mol
Exact Mass367.17
IUPAC Name4-prop-2-enyl-2-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)morpholine;hydrochloride
SMILESC=CCN1CCOC(CC23CC(c4ccccc42)c2ccccc23)C1.Cl
InChIInChI=1S/C23H25NO.ClH/c1-2-11-24-12-13-25-17(16-24)14-23-15-20(18-7-3-5-9-21(18)23)19-8-4-6-10-22(19)23;/h2-10,17,20H,1,11-16H2;1H
InChIKeyXZKKQQOHUPVPJN-UHFFFAOYSA-N
XLogP4.52
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.92
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 4-prop-2-enyl-2-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)morpholine;hydrochloride?
The IUPAC name of 4-prop-2-enyl-2-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)morpholine;hydrochloride (CID 21415002) is 4-prop-2-enyl-2-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)morpholine;hydrochloride.
What is the SMILES notation for 4-prop-2-enyl-2-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)morpholine;hydrochloride?
The canonical SMILES for 4-prop-2-enyl-2-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)morpholine;hydrochloride is C=CCN1CCOC(CC23CC(c4ccccc42)c2ccccc23)C1.Cl.
What is the InChIKey of 4-prop-2-enyl-2-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)morpholine;hydrochloride?
The InChIKey is XZKKQQOHUPVPJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO.ClH/c1-2-11-24-12-13-25-17(16-24)14-23-15-20(18-7-3-5-9-21(18)23)19-8-4-6-10-22(19)23;/h2-10,17,20H,1,11-16H2;1H.
What are the key properties of 4-prop-2-enyl-2-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)morpholine;hydrochloride?
4-prop-2-enyl-2-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)morpholine;hydrochloride has a molecular weight of 367.92 g/mol, XLogP of 4.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-enyl-2-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)morpholine;hydrochloride is sourced from PubChem (CID 21415002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).