2,3-Diphenyl-7-propan-2-ylidene-2-azabicyclo[2.2.1]heptane

C21H23N — CID 13449645

IUPAC2,3-diphenyl-7-propan-2-ylidene-2-azabicyclo[2.2.1]heptane
SMILESCC(=C1C2CCC1N(C2C3=CC=CC=C3)C4=CC=CC=C4)C
InChIInChI=1S/C21H23N/c1-15(2)20-18-13-14-19(20)22(17-11-7-4-8-12-17)21(18)16-9-5-3-6-10-16/h3-12,18-19,21H,13-14H2,1-2H3
InChIKeyOJCASDFWBMQPHM-UHFFFAOYSA-N
MW289.40 g/mol
LogP5.00
Rot. Bonds2

About 2,3-Diphenyl-7-propan-2-ylidene-2-azabicyclo[2.2.1]heptane

2,3-Diphenyl-7-propan-2-ylidene-2-azabicyclo[2.2.1]heptane (PubChem CID 13449645) has the molecular formula C21H23N and a molecular weight of 289.40 g/mol. Its IUPAC name is 2,3-diphenyl-7-propan-2-ylidene-2-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2,3-Diphenyl-7-propan-2-ylidene-2-azabicyclo[2.2.1]heptane
PubChem CID13449645
Molecular FormulaC21H23N
Molecular Weight289.40 g/mol
Exact Mass289.18
IUPAC Name2,3-diphenyl-7-propan-2-ylidene-2-azabicyclo[2.2.1]heptane
SMILESCC(=C1C2CCC1N(C2C3=CC=CC=C3)C4=CC=CC=C4)C
InChIInChI=1S/C21H23N/c1-15(2)20-18-13-14-19(20)22(17-11-7-4-8-12-17)21(18)16-9-5-3-6-10-16/h3-12,18-19,21H,13-14H2,1-2H3
InChIKeyOJCASDFWBMQPHM-UHFFFAOYSA-N
XLogP5.00
TPSA3.20 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity421

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 55.00
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 2,3-Diphenyl-7-propan-2-ylidene-2-azabicyclo[2.2.1]heptane?
The IUPAC name of 2,3-Diphenyl-7-propan-2-ylidene-2-azabicyclo[2.2.1]heptane (CID 13449645) is 2,3-diphenyl-7-propan-2-ylidene-2-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 2,3-Diphenyl-7-propan-2-ylidene-2-azabicyclo[2.2.1]heptane?
The canonical SMILES for 2,3-Diphenyl-7-propan-2-ylidene-2-azabicyclo[2.2.1]heptane is CC(=C1C2CCC1N(C2C3=CC=CC=C3)C4=CC=CC=C4)C.
What is the InChIKey of 2,3-Diphenyl-7-propan-2-ylidene-2-azabicyclo[2.2.1]heptane?
The InChIKey is OJCASDFWBMQPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N/c1-15(2)20-18-13-14-19(20)22(17-11-7-4-8-12-17)21(18)16-9-5-3-6-10-16/h3-12,18-19,21H,13-14H2,1-2H3.
What are the key properties of 2,3-Diphenyl-7-propan-2-ylidene-2-azabicyclo[2.2.1]heptane?
2,3-Diphenyl-7-propan-2-ylidene-2-azabicyclo[2.2.1]heptane has a molecular weight of 289.40 g/mol, XLogP of 5.00, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-Diphenyl-7-propan-2-ylidene-2-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 13449645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).