1-cyclopenta-2,4-dien-1-ylidene-5,6,7,8-tetrahydroisoquinolin-2-ide

C14H14N- — CID 166447737

IUPAC1-cyclopenta-2,4-dien-1-ylidene-5,6,7,8-tetrahydroisoquinolin-2-ide
SMILESC1=CC(=C2[N-]C=CC3=C2CCCC3)C=C1
InChIInChI=1S/C14H14N/c1-2-7-12(6-1)14-13-8-4-3-5-11(13)9-10-15-14/h1-2,6-7,9-10H,3-5,8H2/q-1
InChIKeyOWTCLVBCGCLZRK-UHFFFAOYSA-N
MW196.27 g/mol
LogP4.14
Rot. Bonds

About 1-cyclopenta-2,4-dien-1-ylidene-5,6,7,8-tetrahydroisoquinolin-2-ide

1-cyclopenta-2,4-dien-1-ylidene-5,6,7,8-tetrahydroisoquinolin-2-ide (PubChem CID 166447737) has the molecular formula C14H14N- and a molecular weight of 196.27 g/mol. Its IUPAC name is 1-cyclopenta-2,4-dien-1-ylidene-5,6,7,8-tetrahydroisoquinolin-2-ide.

Molecular Properties

Compound Name1-cyclopenta-2,4-dien-1-ylidene-5,6,7,8-tetrahydroisoquinolin-2-ide
PubChem CID166447737
Molecular FormulaC14H14N-
Molecular Weight196.27 g/mol
Exact Mass196.11
IUPAC Name1-cyclopenta-2,4-dien-1-ylidene-5,6,7,8-tetrahydroisoquinolin-2-ide
SMILESC1=CC(=C2[N-]C=CC3=C2CCCC3)C=C1
InChIInChI=1S/C14H14N/c1-2-7-12(6-1)14-13-8-4-3-5-11(13)9-10-15-14/h1-2,6-7,9-10H,3-5,8H2/q-1
InChIKeyOWTCLVBCGCLZRK-UHFFFAOYSA-N
XLogP4.14
TPSA14.10 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopenta-2,4-dien-1-ylidene-5,6,7,8-tetrahydroisoquinolin-2-ide?
The IUPAC name of 1-cyclopenta-2,4-dien-1-ylidene-5,6,7,8-tetrahydroisoquinolin-2-ide (CID 166447737) is 1-cyclopenta-2,4-dien-1-ylidene-5,6,7,8-tetrahydroisoquinolin-2-ide.
What is the SMILES notation for 1-cyclopenta-2,4-dien-1-ylidene-5,6,7,8-tetrahydroisoquinolin-2-ide?
The canonical SMILES for 1-cyclopenta-2,4-dien-1-ylidene-5,6,7,8-tetrahydroisoquinolin-2-ide is C1=CC(=C2[N-]C=CC3=C2CCCC3)C=C1.
What is the InChIKey of 1-cyclopenta-2,4-dien-1-ylidene-5,6,7,8-tetrahydroisoquinolin-2-ide?
The InChIKey is OWTCLVBCGCLZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N/c1-2-7-12(6-1)14-13-8-4-3-5-11(13)9-10-15-14/h1-2,6-7,9-10H,3-5,8H2/q-1.
What are the key properties of 1-cyclopenta-2,4-dien-1-ylidene-5,6,7,8-tetrahydroisoquinolin-2-ide?
1-cyclopenta-2,4-dien-1-ylidene-5,6,7,8-tetrahydroisoquinolin-2-ide has a molecular weight of 196.27 g/mol, XLogP of 4.14, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopenta-2,4-dien-1-ylidene-5,6,7,8-tetrahydroisoquinolin-2-ide is sourced from PubChem (CID 166447737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).