4-propan-2-yl-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylmethyl)morpholine

C23H27NO — CID 12832486

IUPAC4-propan-2-yl-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylmethyl)morpholine
SMILESCC(C)N1CCOC(CC2c3ccccc3C=Cc3ccccc32)C1
InChIInChI=1S/C23H27NO/c1-17(2)24-13-14-25-20(16-24)15-23-21-9-5-3-7-18(21)11-12-19-8-4-6-10-22(19)23/h3-12,17,20,23H,13-16H2,1-2H3
InChIKeyWSMDPRXREYBVMJ-UHFFFAOYSA-N
MW333.48 g/mol
LogP4.80
Rot. Bonds3

About 4-propan-2-yl-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylmethyl)morpholine

4-propan-2-yl-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylmethyl)morpholine (PubChem CID 12832486) has the molecular formula C23H27NO and a molecular weight of 333.48 g/mol. Its IUPAC name is 4-propan-2-yl-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylmethyl)morpholine.

Molecular Properties

Compound Name4-propan-2-yl-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylmethyl)morpholine
PubChem CID12832486
Molecular FormulaC23H27NO
Molecular Weight333.48 g/mol
Exact Mass333.21
IUPAC Name4-propan-2-yl-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylmethyl)morpholine
SMILESCC(C)N1CCOC(CC2c3ccccc3C=Cc3ccccc32)C1
InChIInChI=1S/C23H27NO/c1-17(2)24-13-14-25-20(16-24)15-23-21-9-5-3-7-18(21)11-12-19-8-4-6-10-22(19)23/h3-12,17,20,23H,13-16H2,1-2H3
InChIKeyWSMDPRXREYBVMJ-UHFFFAOYSA-N
XLogP4.80
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylmethyl)morpholine?
The IUPAC name of 4-propan-2-yl-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylmethyl)morpholine (CID 12832486) is 4-propan-2-yl-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylmethyl)morpholine.
What is the SMILES notation for 4-propan-2-yl-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylmethyl)morpholine?
The canonical SMILES for 4-propan-2-yl-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylmethyl)morpholine is CC(C)N1CCOC(CC2c3ccccc3C=Cc3ccccc32)C1.
What is the InChIKey of 4-propan-2-yl-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylmethyl)morpholine?
The InChIKey is WSMDPRXREYBVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO/c1-17(2)24-13-14-25-20(16-24)15-23-21-9-5-3-7-18(21)11-12-19-8-4-6-10-22(19)23/h3-12,17,20,23H,13-16H2,1-2H3.
What are the key properties of 4-propan-2-yl-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylmethyl)morpholine?
4-propan-2-yl-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylmethyl)morpholine has a molecular weight of 333.48 g/mol, XLogP of 4.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylmethyl)morpholine is sourced from PubChem (CID 12832486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).