7-naphthalen-2-yl-2-azabicyclo[4.2.0]octa-1(6),2,4-triene

C17H13N — CID 67196601

IUPAC7-naphthalen-2-yl-2-azabicyclo[4.2.0]octa-1(6),2,4-triene
SMILESc1cnc2c(c1)C(c1ccc3ccccc3c1)C2
InChIInChI=1S/C17H13N/c1-2-5-13-10-14(8-7-12(13)4-1)16-11-17-15(16)6-3-9-18-17/h1-10,16H,11H2
InChIKeyVRUBIBBHGJGYNY-UHFFFAOYSA-N
MW231.30 g/mol
LogP3.92
Rot. Bonds1

About 7-naphthalen-2-yl-2-azabicyclo[4.2.0]octa-1(6),2,4-triene

7-naphthalen-2-yl-2-azabicyclo[4.2.0]octa-1(6),2,4-triene (PubChem CID 67196601) has the molecular formula C17H13N and a molecular weight of 231.30 g/mol. Its IUPAC name is 7-naphthalen-2-yl-2-azabicyclo[4.2.0]octa-1(6),2,4-triene.

Molecular Properties

Compound Name7-naphthalen-2-yl-2-azabicyclo[4.2.0]octa-1(6),2,4-triene
PubChem CID67196601
Molecular FormulaC17H13N
Molecular Weight231.30 g/mol
Exact Mass231.10
IUPAC Name7-naphthalen-2-yl-2-azabicyclo[4.2.0]octa-1(6),2,4-triene
SMILESc1cnc2c(c1)C(c1ccc3ccccc3c1)C2
InChIInChI=1S/C17H13N/c1-2-5-13-10-14(8-7-12(13)4-1)16-11-17-15(16)6-3-9-18-17/h1-10,16H,11H2
InChIKeyVRUBIBBHGJGYNY-UHFFFAOYSA-N
XLogP3.92
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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(1S,3S)-N,N-dimethyl-3-naphthalen-2-yl-2,3-dihydro-1H-inden-1-amine
CID 10171662
6-methyl-4-naphthalen-2-yl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine
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1,2-dimethyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline
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3-(9H-fluoren-9-yl)-1,10-phenanthroline
CID 101126567
2-[(1R)-2,3-dihydro-1H-inden-1-yl]naphthalene;methoxymethane
CID 142137917
2-[(E)-(2-naphthalen-2-ylcyclopropylidene)methyl]naphthalene
CID 10614622
3-naphthalen-2-ylpyrrolidine-2,5-dione
CID 102081693
4-naphthalen-2-yl-3,4-dihydro-1H-benzo[h]quinolin-2-one
CID 2879509
(4S)-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline
CID 129384739
(2S,4R)-3-oxa-7-azatricyclo[4.4.0.02,4]deca-1(6),7,9-triene
CID 11434972

Frequently Asked Questions

What is the IUPAC name of 7-naphthalen-2-yl-2-azabicyclo[4.2.0]octa-1(6),2,4-triene?
The IUPAC name of 7-naphthalen-2-yl-2-azabicyclo[4.2.0]octa-1(6),2,4-triene (CID 67196601) is 7-naphthalen-2-yl-2-azabicyclo[4.2.0]octa-1(6),2,4-triene.
What is the SMILES notation for 7-naphthalen-2-yl-2-azabicyclo[4.2.0]octa-1(6),2,4-triene?
The canonical SMILES for 7-naphthalen-2-yl-2-azabicyclo[4.2.0]octa-1(6),2,4-triene is c1cnc2c(c1)C(c1ccc3ccccc3c1)C2.
What is the InChIKey of 7-naphthalen-2-yl-2-azabicyclo[4.2.0]octa-1(6),2,4-triene?
The InChIKey is VRUBIBBHGJGYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N/c1-2-5-13-10-14(8-7-12(13)4-1)16-11-17-15(16)6-3-9-18-17/h1-10,16H,11H2.
What are the key properties of 7-naphthalen-2-yl-2-azabicyclo[4.2.0]octa-1(6),2,4-triene?
7-naphthalen-2-yl-2-azabicyclo[4.2.0]octa-1(6),2,4-triene has a molecular weight of 231.30 g/mol, XLogP of 3.92, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-naphthalen-2-yl-2-azabicyclo[4.2.0]octa-1(6),2,4-triene is sourced from PubChem (CID 67196601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).