3-(1-cyclopent-3-en-1-ylethenyl)-3,7-diazabicyclo[3.3.1]nonane

C14H22N2 — CID 143861063

IUPAC3-(1-cyclopent-3-en-1-ylethenyl)-3,7-diazabicyclo[3.3.1]nonane
SMILESC=C(C1CC=CC1)N1CC2CNCC(C2)C1
InChIInChI=1S/C14H22N2/c1-11(14-4-2-3-5-14)16-9-12-6-13(10-16)8-15-7-12/h2-3,12-15H,1,4-10H2
InChIKeyYERFBOCODLNXSK-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.01
Rot. Bonds2

About 3-(1-cyclopent-3-en-1-ylethenyl)-3,7-diazabicyclo[3.3.1]nonane

3-(1-cyclopent-3-en-1-ylethenyl)-3,7-diazabicyclo[3.3.1]nonane (PubChem CID 143861063) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 3-(1-cyclopent-3-en-1-ylethenyl)-3,7-diazabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name3-(1-cyclopent-3-en-1-ylethenyl)-3,7-diazabicyclo[3.3.1]nonane
PubChem CID143861063
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name3-(1-cyclopent-3-en-1-ylethenyl)-3,7-diazabicyclo[3.3.1]nonane
SMILESC=C(C1CC=CC1)N1CC2CNCC(C2)C1
InChIInChI=1S/C14H22N2/c1-11(14-4-2-3-5-14)16-9-12-6-13(10-16)8-15-7-12/h2-3,12-15H,1,4-10H2
InChIKeyYERFBOCODLNXSK-UHFFFAOYSA-N
XLogP2.01
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.01
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 3-(1-cyclopent-3-en-1-ylethenyl)-3,7-diazabicyclo[3.3.1]nonane?
The IUPAC name of 3-(1-cyclopent-3-en-1-ylethenyl)-3,7-diazabicyclo[3.3.1]nonane (CID 143861063) is 3-(1-cyclopent-3-en-1-ylethenyl)-3,7-diazabicyclo[3.3.1]nonane.
What is the SMILES notation for 3-(1-cyclopent-3-en-1-ylethenyl)-3,7-diazabicyclo[3.3.1]nonane?
The canonical SMILES for 3-(1-cyclopent-3-en-1-ylethenyl)-3,7-diazabicyclo[3.3.1]nonane is C=C(C1CC=CC1)N1CC2CNCC(C2)C1.
What is the InChIKey of 3-(1-cyclopent-3-en-1-ylethenyl)-3,7-diazabicyclo[3.3.1]nonane?
The InChIKey is YERFBOCODLNXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-11(14-4-2-3-5-14)16-9-12-6-13(10-16)8-15-7-12/h2-3,12-15H,1,4-10H2.
What are the key properties of 3-(1-cyclopent-3-en-1-ylethenyl)-3,7-diazabicyclo[3.3.1]nonane?
3-(1-cyclopent-3-en-1-ylethenyl)-3,7-diazabicyclo[3.3.1]nonane has a molecular weight of 218.34 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclopent-3-en-1-ylethenyl)-3,7-diazabicyclo[3.3.1]nonane is sourced from PubChem (CID 143861063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).