3-methylspiro[azirine-2,9'-fluorene]

C15H11N — CID 13480601

IUPAC3-methylspiro[azirine-2,9'-fluorene]
SMILESCC1=NC12c1ccccc1-c1ccccc12
InChIInChI=1S/C15H11N/c1-10-15(16-10)13-8-4-2-6-11(13)12-7-3-5-9-14(12)15/h2-9H,1H3
InChIKeyWTGDUBVGOAUBFT-UHFFFAOYSA-N
MW205.26 g/mol
LogP3.39
Rot. Bonds

About 3-methylspiro[azirine-2,9'-fluorene]

3-methylspiro[azirine-2,9'-fluorene] (PubChem CID 13480601) has the molecular formula C15H11N and a molecular weight of 205.26 g/mol. Its IUPAC name is 3-methylspiro[azirine-2,9'-fluorene].

Molecular Properties

Compound Name3-methylspiro[azirine-2,9'-fluorene]
PubChem CID13480601
Molecular FormulaC15H11N
Molecular Weight205.26 g/mol
Exact Mass205.09
IUPAC Name3-methylspiro[azirine-2,9'-fluorene]
SMILESCC1=NC12c1ccccc1-c1ccccc12
InChIInChI=1S/C15H11N/c1-10-15(16-10)13-8-4-2-6-11(13)12-7-3-5-9-14(12)15/h2-9H,1H3
InChIKeyWTGDUBVGOAUBFT-UHFFFAOYSA-N
XLogP3.39
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methylspiro[azirine-2,9'-fluorene]?
The IUPAC name of 3-methylspiro[azirine-2,9'-fluorene] (CID 13480601) is 3-methylspiro[azirine-2,9'-fluorene].
What is the SMILES notation for 3-methylspiro[azirine-2,9'-fluorene]?
The canonical SMILES for 3-methylspiro[azirine-2,9'-fluorene] is CC1=NC12c1ccccc1-c1ccccc12.
What is the InChIKey of 3-methylspiro[azirine-2,9'-fluorene]?
The InChIKey is WTGDUBVGOAUBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N/c1-10-15(16-10)13-8-4-2-6-11(13)12-7-3-5-9-14(12)15/h2-9H,1H3.
What are the key properties of 3-methylspiro[azirine-2,9'-fluorene]?
3-methylspiro[azirine-2,9'-fluorene] has a molecular weight of 205.26 g/mol, XLogP of 3.39, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylspiro[azirine-2,9'-fluorene] is sourced from PubChem (CID 13480601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).