cyclopenta-1,2,4-trien-1-ylmethyl(phenyl)azanide

C12H10N- — CID 177430491

IUPACcyclopenta-1,2,4-trien-1-ylmethyl(phenyl)azanide
SMILESC1=CC=CC=1C[N-]c1ccccc1
InChIInChI=1S/C12H10N/c1-2-8-12(9-3-1)13-10-11-6-4-5-7-11/h1-6,8-9H,10H2/q-1
InChIKeyGEXSCFWFBVOTCE-UHFFFAOYSA-N
MW168.22 g/mol
LogP3.34
Rot. Bonds3

About cyclopenta-1,2,4-trien-1-ylmethyl(phenyl)azanide

cyclopenta-1,2,4-trien-1-ylmethyl(phenyl)azanide (PubChem CID 177430491) has the molecular formula C12H10N- and a molecular weight of 168.22 g/mol. Its IUPAC name is cyclopenta-1,2,4-trien-1-ylmethyl(phenyl)azanide.

Molecular Properties

Compound Namecyclopenta-1,2,4-trien-1-ylmethyl(phenyl)azanide
PubChem CID177430491
Molecular FormulaC12H10N-
Molecular Weight168.22 g/mol
Exact Mass168.08
IUPAC Namecyclopenta-1,2,4-trien-1-ylmethyl(phenyl)azanide
SMILESC1=CC=CC=1C[N-]c1ccccc1
InChIInChI=1S/C12H10N/c1-2-8-12(9-3-1)13-10-11-6-4-5-7-11/h1-6,8-9H,10H2/q-1
InChIKeyGEXSCFWFBVOTCE-UHFFFAOYSA-N
XLogP3.34
TPSA14.10 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.22
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,2,4-trien-1-ylmethyl(phenyl)azanide?
The IUPAC name of cyclopenta-1,2,4-trien-1-ylmethyl(phenyl)azanide (CID 177430491) is cyclopenta-1,2,4-trien-1-ylmethyl(phenyl)azanide.
What is the SMILES notation for cyclopenta-1,2,4-trien-1-ylmethyl(phenyl)azanide?
The canonical SMILES for cyclopenta-1,2,4-trien-1-ylmethyl(phenyl)azanide is C1=CC=CC=1C[N-]c1ccccc1.
What is the InChIKey of cyclopenta-1,2,4-trien-1-ylmethyl(phenyl)azanide?
The InChIKey is GEXSCFWFBVOTCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N/c1-2-8-12(9-3-1)13-10-11-6-4-5-7-11/h1-6,8-9H,10H2/q-1.
What are the key properties of cyclopenta-1,2,4-trien-1-ylmethyl(phenyl)azanide?
cyclopenta-1,2,4-trien-1-ylmethyl(phenyl)azanide has a molecular weight of 168.22 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,2,4-trien-1-ylmethyl(phenyl)azanide is sourced from PubChem (CID 177430491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).