7-phenyl-2,3-bis(prop-1-en-2-yl)-7-azabicyclo[2.2.1]hept-2-ene

C18H21N — CID 144689850

IUPAC7-phenyl-2,3-bis(prop-1-en-2-yl)-7-azabicyclo[2.2.1]hept-2-ene
SMILESC=C(C)C1=C(C(=C)C)C2CCC1N2c1ccccc1
InChIInChI=1S/C18H21N/c1-12(2)17-15-10-11-16(18(17)13(3)4)19(15)14-8-6-5-7-9-14/h5-9,15-16H,1,3,10-11H2,2,4H3
InChIKeyWSJDNRKKGMPBBD-UHFFFAOYSA-N
MW251.37 g/mol
LogP4.49
Rot. Bonds3

About 7-phenyl-2,3-bis(prop-1-en-2-yl)-7-azabicyclo[2.2.1]hept-2-ene

7-phenyl-2,3-bis(prop-1-en-2-yl)-7-azabicyclo[2.2.1]hept-2-ene (PubChem CID 144689850) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is 7-phenyl-2,3-bis(prop-1-en-2-yl)-7-azabicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name7-phenyl-2,3-bis(prop-1-en-2-yl)-7-azabicyclo[2.2.1]hept-2-ene
PubChem CID144689850
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC Name7-phenyl-2,3-bis(prop-1-en-2-yl)-7-azabicyclo[2.2.1]hept-2-ene
SMILESC=C(C)C1=C(C(=C)C)C2CCC1N2c1ccccc1
InChIInChI=1S/C18H21N/c1-12(2)17-15-10-11-16(18(17)13(3)4)19(15)14-8-6-5-7-9-14/h5-9,15-16H,1,3,10-11H2,2,4H3
InChIKeyWSJDNRKKGMPBBD-UHFFFAOYSA-N
XLogP4.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-phenyl-2,3-bis(prop-1-en-2-yl)-7-azabicyclo[2.2.1]hept-2-ene?
The IUPAC name of 7-phenyl-2,3-bis(prop-1-en-2-yl)-7-azabicyclo[2.2.1]hept-2-ene (CID 144689850) is 7-phenyl-2,3-bis(prop-1-en-2-yl)-7-azabicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 7-phenyl-2,3-bis(prop-1-en-2-yl)-7-azabicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 7-phenyl-2,3-bis(prop-1-en-2-yl)-7-azabicyclo[2.2.1]hept-2-ene is C=C(C)C1=C(C(=C)C)C2CCC1N2c1ccccc1.
What is the InChIKey of 7-phenyl-2,3-bis(prop-1-en-2-yl)-7-azabicyclo[2.2.1]hept-2-ene?
The InChIKey is WSJDNRKKGMPBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N/c1-12(2)17-15-10-11-16(18(17)13(3)4)19(15)14-8-6-5-7-9-14/h5-9,15-16H,1,3,10-11H2,2,4H3.
What are the key properties of 7-phenyl-2,3-bis(prop-1-en-2-yl)-7-azabicyclo[2.2.1]hept-2-ene?
7-phenyl-2,3-bis(prop-1-en-2-yl)-7-azabicyclo[2.2.1]hept-2-ene has a molecular weight of 251.37 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-2,3-bis(prop-1-en-2-yl)-7-azabicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 144689850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).