2H-naphtho[2,1-e]isoindole

C16H11N — CID 142747457

IUPAC2H-naphtho[2,1-e]isoindole
SMILESc1ccc2c(c1)ccc1c3c[nH]cc3ccc21
InChIInChI=1S/C16H11N/c1-2-4-13-11(3-1)5-7-15-14(13)8-6-12-9-17-10-16(12)15/h1-10,17H
InChIKeyFMAZXBUTOUERME-UHFFFAOYSA-N
MW217.27 g/mol
LogP4.47
Rot. Bonds

About 2H-naphtho[2,1-e]isoindole

2H-naphtho[2,1-e]isoindole (PubChem CID 142747457) has the molecular formula C16H11N and a molecular weight of 217.27 g/mol. Its IUPAC name is 2H-naphtho[2,1-e]isoindole.

Molecular Properties

Compound Name2H-naphtho[2,1-e]isoindole
PubChem CID142747457
Molecular FormulaC16H11N
Molecular Weight217.27 g/mol
Exact Mass217.09
IUPAC Name2H-naphtho[2,1-e]isoindole
SMILESc1ccc2c(c1)ccc1c3c[nH]cc3ccc21
InChIInChI=1S/C16H11N/c1-2-4-13-11(3-1)5-7-15-14(13)8-6-12-9-17-10-16(12)15/h1-10,17H
InChIKeyFMAZXBUTOUERME-UHFFFAOYSA-N
XLogP4.47
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

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heptacyclo[16.12.0.02,15.04,13.05,10.019,28.022,27]triaconta-1(18),2(15),3,5,7,9,11,13,16,19(28),20,22,24,26,29-pentadecaene
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Frequently Asked Questions

What is the IUPAC name of 2H-naphtho[2,1-e]isoindole?
The IUPAC name of 2H-naphtho[2,1-e]isoindole (CID 142747457) is 2H-naphtho[2,1-e]isoindole.
What is the SMILES notation for 2H-naphtho[2,1-e]isoindole?
The canonical SMILES for 2H-naphtho[2,1-e]isoindole is c1ccc2c(c1)ccc1c3c[nH]cc3ccc21.
What is the InChIKey of 2H-naphtho[2,1-e]isoindole?
The InChIKey is FMAZXBUTOUERME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N/c1-2-4-13-11(3-1)5-7-15-14(13)8-6-12-9-17-10-16(12)15/h1-10,17H.
What are the key properties of 2H-naphtho[2,1-e]isoindole?
2H-naphtho[2,1-e]isoindole has a molecular weight of 217.27 g/mol, XLogP of 4.47, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-naphtho[2,1-e]isoindole is sourced from PubChem (CID 142747457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).