(2Z)-2-(cyclopenta-2,4-dien-1-ylmethylidene)-3-methylidene-1-azabicyclo[2.2.2]octane

C14H17N — CID 15327956

IUPAC(2Z)-2-(cyclopenta-2,4-dien-1-ylmethylidene)-3-methylidene-1-azabicyclo[2.2.2]octane
SMILESC=C1/C(=C/C2C=CC=C2)N2CCC1CC2
InChIInChI=1S/C14H17N/c1-11-13-6-8-15(9-7-13)14(11)10-12-4-2-3-5-12/h2-5,10,12-13H,1,6-9H2/b14-10-
InChIKeyHJGAOOZXWDOCLI-UVTDQMKNSA-N
MW199.30 g/mol
LogP2.89
Rot. Bonds1

About (2Z)-2-(cyclopenta-2,4-dien-1-ylmethylidene)-3-methylidene-1-azabicyclo[2.2.2]octane

(2Z)-2-(cyclopenta-2,4-dien-1-ylmethylidene)-3-methylidene-1-azabicyclo[2.2.2]octane (PubChem CID 15327956) has the molecular formula C14H17N and a molecular weight of 199.30 g/mol. Its IUPAC name is (2Z)-2-(cyclopenta-2,4-dien-1-ylmethylidene)-3-methylidene-1-azabicyclo[2.2.2]octane.

Molecular Properties

Compound Name(2Z)-2-(cyclopenta-2,4-dien-1-ylmethylidene)-3-methylidene-1-azabicyclo[2.2.2]octane
PubChem CID15327956
Molecular FormulaC14H17N
Molecular Weight199.30 g/mol
Exact Mass199.14
IUPAC Name(2Z)-2-(cyclopenta-2,4-dien-1-ylmethylidene)-3-methylidene-1-azabicyclo[2.2.2]octane
SMILESC=C1/C(=C/C2C=CC=C2)N2CCC1CC2
InChIInChI=1S/C14H17N/c1-11-13-6-8-15(9-7-13)14(11)10-12-4-2-3-5-12/h2-5,10,12-13H,1,6-9H2/b14-10-
InChIKeyHJGAOOZXWDOCLI-UVTDQMKNSA-N
XLogP2.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(cyclopenta-2,4-dien-1-ylmethylidene)-3-methylidene-1-azabicyclo[2.2.2]octane?
The IUPAC name of (2Z)-2-(cyclopenta-2,4-dien-1-ylmethylidene)-3-methylidene-1-azabicyclo[2.2.2]octane (CID 15327956) is (2Z)-2-(cyclopenta-2,4-dien-1-ylmethylidene)-3-methylidene-1-azabicyclo[2.2.2]octane.
What is the SMILES notation for (2Z)-2-(cyclopenta-2,4-dien-1-ylmethylidene)-3-methylidene-1-azabicyclo[2.2.2]octane?
The canonical SMILES for (2Z)-2-(cyclopenta-2,4-dien-1-ylmethylidene)-3-methylidene-1-azabicyclo[2.2.2]octane is C=C1/C(=C/C2C=CC=C2)N2CCC1CC2.
What is the InChIKey of (2Z)-2-(cyclopenta-2,4-dien-1-ylmethylidene)-3-methylidene-1-azabicyclo[2.2.2]octane?
The InChIKey is HJGAOOZXWDOCLI-UVTDQMKNSA-N. The full InChI is InChI=1S/C14H17N/c1-11-13-6-8-15(9-7-13)14(11)10-12-4-2-3-5-12/h2-5,10,12-13H,1,6-9H2/b14-10-.
What are the key properties of (2Z)-2-(cyclopenta-2,4-dien-1-ylmethylidene)-3-methylidene-1-azabicyclo[2.2.2]octane?
(2Z)-2-(cyclopenta-2,4-dien-1-ylmethylidene)-3-methylidene-1-azabicyclo[2.2.2]octane has a molecular weight of 199.30 g/mol, XLogP of 2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(cyclopenta-2,4-dien-1-ylmethylidene)-3-methylidene-1-azabicyclo[2.2.2]octane is sourced from PubChem (CID 15327956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).