(3Z)-9-prop-1-en-2-yl-8-azabicyclo[5.3.1]undeca-1(10),3,5,8-tetraene

C13H15N — CID 123763867

IUPAC(3Z)-9-prop-1-en-2-yl-8-azabicyclo[5.3.1]undeca-1(10),3,5,8-tetraene
SMILESC=C(C)C1=NC2C=C/C=C\CC(=C1)C2
InChIInChI=1S/C13H15N/c1-10(2)13-9-11-6-4-3-5-7-12(8-11)14-13/h3-5,7,9,12H,1,6,8H2,2H3/b4-3-,7-5?
InChIKeyTYCLCGQYMGMNFI-ZNIZGTPISA-N
MW185.27 g/mol
LogP3.22
Rot. Bonds1

About (3Z)-9-prop-1-en-2-yl-8-azabicyclo[5.3.1]undeca-1(10),3,5,8-tetraene

(3Z)-9-prop-1-en-2-yl-8-azabicyclo[5.3.1]undeca-1(10),3,5,8-tetraene (PubChem CID 123763867) has the molecular formula C13H15N and a molecular weight of 185.27 g/mol. Its IUPAC name is (3Z)-9-prop-1-en-2-yl-8-azabicyclo[5.3.1]undeca-1(10),3,5,8-tetraene.

Molecular Properties

Compound Name(3Z)-9-prop-1-en-2-yl-8-azabicyclo[5.3.1]undeca-1(10),3,5,8-tetraene
PubChem CID123763867
Molecular FormulaC13H15N
Molecular Weight185.27 g/mol
Exact Mass185.12
IUPAC Name(3Z)-9-prop-1-en-2-yl-8-azabicyclo[5.3.1]undeca-1(10),3,5,8-tetraene
SMILESC=C(C)C1=NC2C=C/C=C\CC(=C1)C2
InChIInChI=1S/C13H15N/c1-10(2)13-9-11-6-4-3-5-7-12(8-11)14-13/h3-5,7,9,12H,1,6,8H2,2H3/b4-3-,7-5?
InChIKeyTYCLCGQYMGMNFI-ZNIZGTPISA-N
XLogP3.22
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3Z)-9-prop-1-en-2-yl-8-azabicyclo[5.3.1]undeca-1(10),3,5,8-tetraene?
The IUPAC name of (3Z)-9-prop-1-en-2-yl-8-azabicyclo[5.3.1]undeca-1(10),3,5,8-tetraene (CID 123763867) is (3Z)-9-prop-1-en-2-yl-8-azabicyclo[5.3.1]undeca-1(10),3,5,8-tetraene.
What is the SMILES notation for (3Z)-9-prop-1-en-2-yl-8-azabicyclo[5.3.1]undeca-1(10),3,5,8-tetraene?
The canonical SMILES for (3Z)-9-prop-1-en-2-yl-8-azabicyclo[5.3.1]undeca-1(10),3,5,8-tetraene is C=C(C)C1=NC2C=C/C=C\CC(=C1)C2.
What is the InChIKey of (3Z)-9-prop-1-en-2-yl-8-azabicyclo[5.3.1]undeca-1(10),3,5,8-tetraene?
The InChIKey is TYCLCGQYMGMNFI-ZNIZGTPISA-N. The full InChI is InChI=1S/C13H15N/c1-10(2)13-9-11-6-4-3-5-7-12(8-11)14-13/h3-5,7,9,12H,1,6,8H2,2H3/b4-3-,7-5?.
What are the key properties of (3Z)-9-prop-1-en-2-yl-8-azabicyclo[5.3.1]undeca-1(10),3,5,8-tetraene?
(3Z)-9-prop-1-en-2-yl-8-azabicyclo[5.3.1]undeca-1(10),3,5,8-tetraene has a molecular weight of 185.27 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-9-prop-1-en-2-yl-8-azabicyclo[5.3.1]undeca-1(10),3,5,8-tetraene is sourced from PubChem (CID 123763867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).