naphtho[2,1-b]azete

C11H7N — CID 66777316

IUPACnaphtho[2,1-b]azete
SMILESC1=Nc2ccc3ccccc3c21
InChIInChI=1S/C11H7N/c1-2-4-9-8(3-1)5-6-11-10(9)7-12-11/h1-7H
InChIKeyLDFDNXLENXFOSH-UHFFFAOYSA-N
MW153.18 g/mol
LogP2.90
Rot. Bonds

About naphtho[2,1-b]azete

naphtho[2,1-b]azete (PubChem CID 66777316) has the molecular formula C11H7N and a molecular weight of 153.18 g/mol. Its IUPAC name is naphtho[2,1-b]azete.

Molecular Properties

Compound Namenaphtho[2,1-b]azete
PubChem CID66777316
Molecular FormulaC11H7N
Molecular Weight153.18 g/mol
Exact Mass153.06
IUPAC Namenaphtho[2,1-b]azete
SMILESC1=Nc2ccc3ccccc3c21
InChIInChI=1S/C11H7N/c1-2-4-9-8(3-1)5-6-11-10(9)7-12-11/h1-7H
InChIKeyLDFDNXLENXFOSH-UHFFFAOYSA-N
XLogP2.90
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of naphtho[2,1-b]azete?
The IUPAC name of naphtho[2,1-b]azete (CID 66777316) is naphtho[2,1-b]azete.
What is the SMILES notation for naphtho[2,1-b]azete?
The canonical SMILES for naphtho[2,1-b]azete is C1=Nc2ccc3ccccc3c21.
What is the InChIKey of naphtho[2,1-b]azete?
The InChIKey is LDFDNXLENXFOSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N/c1-2-4-9-8(3-1)5-6-11-10(9)7-12-11/h1-7H.
What are the key properties of naphtho[2,1-b]azete?
naphtho[2,1-b]azete has a molecular weight of 153.18 g/mol, XLogP of 2.90, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for naphtho[2,1-b]azete is sourced from PubChem (CID 66777316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).