2-(2-bicyclo[2.2.1]hept-3-enyl)-2,5-diazabicyclo[2.2.1]heptane

C12H18N2 — CID 170321583

IUPAC2-(2-bicyclo[2.2.1]hept-3-enyl)-2,5-diazabicyclo[2.2.1]heptane
SMILESC1=C2CCC(C2)C1N1CC2CC1CN2
InChIInChI=1S/C12H18N2/c1-2-9-3-8(1)4-12(9)14-7-10-5-11(14)6-13-10/h4,9-13H,1-3,5-7H2
InChIKeyNTPMPQUDSDVNQA-UHFFFAOYSA-N
MW190.29 g/mol
LogP1.14
Rot. Bonds1

About 2-(2-bicyclo[2.2.1]hept-3-enyl)-2,5-diazabicyclo[2.2.1]heptane

2-(2-bicyclo[2.2.1]hept-3-enyl)-2,5-diazabicyclo[2.2.1]heptane (PubChem CID 170321583) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]hept-3-enyl)-2,5-diazabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]hept-3-enyl)-2,5-diazabicyclo[2.2.1]heptane
PubChem CID170321583
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name2-(2-bicyclo[2.2.1]hept-3-enyl)-2,5-diazabicyclo[2.2.1]heptane
SMILESC1=C2CCC(C2)C1N1CC2CC1CN2
InChIInChI=1S/C12H18N2/c1-2-9-3-8(1)4-12(9)14-7-10-5-11(14)6-13-10/h4,9-13H,1-3,5-7H2
InChIKeyNTPMPQUDSDVNQA-UHFFFAOYSA-N
XLogP1.14
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 51.14
H-Bond Donors ≤ 51
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 2-(2-bicyclo[2.2.1]hept-3-enyl)-2,5-diazabicyclo[2.2.1]heptane?
The IUPAC name of 2-(2-bicyclo[2.2.1]hept-3-enyl)-2,5-diazabicyclo[2.2.1]heptane (CID 170321583) is 2-(2-bicyclo[2.2.1]hept-3-enyl)-2,5-diazabicyclo[2.2.1]heptane.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]hept-3-enyl)-2,5-diazabicyclo[2.2.1]heptane?
The canonical SMILES for 2-(2-bicyclo[2.2.1]hept-3-enyl)-2,5-diazabicyclo[2.2.1]heptane is C1=C2CCC(C2)C1N1CC2CC1CN2.
What is the InChIKey of 2-(2-bicyclo[2.2.1]hept-3-enyl)-2,5-diazabicyclo[2.2.1]heptane?
The InChIKey is NTPMPQUDSDVNQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-2-9-3-8(1)4-12(9)14-7-10-5-11(14)6-13-10/h4,9-13H,1-3,5-7H2.
What are the key properties of 2-(2-bicyclo[2.2.1]hept-3-enyl)-2,5-diazabicyclo[2.2.1]heptane?
2-(2-bicyclo[2.2.1]hept-3-enyl)-2,5-diazabicyclo[2.2.1]heptane has a molecular weight of 190.29 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]hept-3-enyl)-2,5-diazabicyclo[2.2.1]heptane is sourced from PubChem (CID 170321583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).