lawrencium;2-methyl-1-azacyclohepta-2,4,5,7-tetraene

C7H7LrN — CID 144526001

IUPAClawrencium;2-methyl-1-azacyclohepta-2,4,5,7-tetraene
SMILESCC1=CC=C=CC=N1.[Lr]
InChIInChI=1S/C7H7N.Lr/c1-7-5-3-2-4-6-8-7;/h3-6H,1H3;
InChIKeyCDUNLTIZCUYKCM-UHFFFAOYSA-N
MW367.14 g/mol
LogP1.69
Rot. Bonds

About lawrencium;2-methyl-1-azacyclohepta-2,4,5,7-tetraene

lawrencium;2-methyl-1-azacyclohepta-2,4,5,7-tetraene (PubChem CID 144526001) has the molecular formula C7H7LrN and a molecular weight of 367.14 g/mol. Its IUPAC name is lawrencium;2-methyl-1-azacyclohepta-2,4,5,7-tetraene.

Molecular Properties

Compound Namelawrencium;2-methyl-1-azacyclohepta-2,4,5,7-tetraene
PubChem CID144526001
Molecular FormulaC7H7LrN
Molecular Weight367.14 g/mol
Exact Mass367.17
IUPAC Namelawrencium;2-methyl-1-azacyclohepta-2,4,5,7-tetraene
SMILESCC1=CC=C=CC=N1.[Lr]
InChIInChI=1S/C7H7N.Lr/c1-7-5-3-2-4-6-8-7;/h3-6H,1H3;
InChIKeyCDUNLTIZCUYKCM-UHFFFAOYSA-N
XLogP1.69
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.14
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of lawrencium;2-methyl-1-azacyclohepta-2,4,5,7-tetraene?
The IUPAC name of lawrencium;2-methyl-1-azacyclohepta-2,4,5,7-tetraene (CID 144526001) is lawrencium;2-methyl-1-azacyclohepta-2,4,5,7-tetraene.
What is the SMILES notation for lawrencium;2-methyl-1-azacyclohepta-2,4,5,7-tetraene?
The canonical SMILES for lawrencium;2-methyl-1-azacyclohepta-2,4,5,7-tetraene is CC1=CC=C=CC=N1.[Lr].
What is the InChIKey of lawrencium;2-methyl-1-azacyclohepta-2,4,5,7-tetraene?
The InChIKey is CDUNLTIZCUYKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N.Lr/c1-7-5-3-2-4-6-8-7;/h3-6H,1H3;.
What are the key properties of lawrencium;2-methyl-1-azacyclohepta-2,4,5,7-tetraene?
lawrencium;2-methyl-1-azacyclohepta-2,4,5,7-tetraene has a molecular weight of 367.14 g/mol, XLogP of 1.69, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lawrencium;2-methyl-1-azacyclohepta-2,4,5,7-tetraene is sourced from PubChem (CID 144526001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).