2-(3-ethenyl-4-methylphenyl)-2,5-diazabicyclo[2.2.1]heptane

C14H18N2 — CID 155722137

IUPAC2-(3-ethenyl-4-methylphenyl)-2,5-diazabicyclo[2.2.1]heptane
SMILESC=Cc1cc(N2CC3CC2CN3)ccc1C
InChIInChI=1S/C14H18N2/c1-3-11-6-13(5-4-10(11)2)16-9-12-7-14(16)8-15-12/h3-6,12,14-15H,1,7-9H2,2H3
InChIKeyVAWZTLRZYIUBGY-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.19
Rot. Bonds2

About 2-(3-ethenyl-4-methylphenyl)-2,5-diazabicyclo[2.2.1]heptane

2-(3-ethenyl-4-methylphenyl)-2,5-diazabicyclo[2.2.1]heptane (PubChem CID 155722137) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-(3-ethenyl-4-methylphenyl)-2,5-diazabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-(3-ethenyl-4-methylphenyl)-2,5-diazabicyclo[2.2.1]heptane
PubChem CID155722137
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name2-(3-ethenyl-4-methylphenyl)-2,5-diazabicyclo[2.2.1]heptane
SMILESC=Cc1cc(N2CC3CC2CN3)ccc1C
InChIInChI=1S/C14H18N2/c1-3-11-6-13(5-4-10(11)2)16-9-12-7-14(16)8-15-12/h3-6,12,14-15H,1,7-9H2,2H3
InChIKeyVAWZTLRZYIUBGY-UHFFFAOYSA-N
XLogP2.19
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethenyl-4-methylphenyl)-2,5-diazabicyclo[2.2.1]heptane?
The IUPAC name of 2-(3-ethenyl-4-methylphenyl)-2,5-diazabicyclo[2.2.1]heptane (CID 155722137) is 2-(3-ethenyl-4-methylphenyl)-2,5-diazabicyclo[2.2.1]heptane.
What is the SMILES notation for 2-(3-ethenyl-4-methylphenyl)-2,5-diazabicyclo[2.2.1]heptane?
The canonical SMILES for 2-(3-ethenyl-4-methylphenyl)-2,5-diazabicyclo[2.2.1]heptane is C=Cc1cc(N2CC3CC2CN3)ccc1C.
What is the InChIKey of 2-(3-ethenyl-4-methylphenyl)-2,5-diazabicyclo[2.2.1]heptane?
The InChIKey is VAWZTLRZYIUBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-3-11-6-13(5-4-10(11)2)16-9-12-7-14(16)8-15-12/h3-6,12,14-15H,1,7-9H2,2H3.
What are the key properties of 2-(3-ethenyl-4-methylphenyl)-2,5-diazabicyclo[2.2.1]heptane?
2-(3-ethenyl-4-methylphenyl)-2,5-diazabicyclo[2.2.1]heptane has a molecular weight of 214.31 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethenyl-4-methylphenyl)-2,5-diazabicyclo[2.2.1]heptane is sourced from PubChem (CID 155722137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).