N-naphthalen-2-ylcyclohexa-2,5-dien-1-imine

C16H13N — CID 23355495

IUPACN-naphthalen-2-ylcyclohexa-2,5-dien-1-imine
SMILESC1=CC(=Nc2ccc3ccccc3c2)C=CC1
InChIInChI=1S/C16H13N/c1-2-8-15(9-3-1)17-16-11-10-13-6-4-5-7-14(13)12-16/h2-12H,1H2
InChIKeyOFHAHVKEOSCPRR-UHFFFAOYSA-N
MW219.29 g/mol
LogP4.43
Rot. Bonds1

About N-naphthalen-2-ylcyclohexa-2,5-dien-1-imine

N-naphthalen-2-ylcyclohexa-2,5-dien-1-imine (PubChem CID 23355495) has the molecular formula C16H13N and a molecular weight of 219.29 g/mol. Its IUPAC name is N-naphthalen-2-ylcyclohexa-2,5-dien-1-imine.

Molecular Properties

Compound NameN-naphthalen-2-ylcyclohexa-2,5-dien-1-imine
PubChem CID23355495
Molecular FormulaC16H13N
Molecular Weight219.29 g/mol
Exact Mass219.10
IUPAC NameN-naphthalen-2-ylcyclohexa-2,5-dien-1-imine
SMILESC1=CC(=Nc2ccc3ccccc3c2)C=CC1
InChIInChI=1S/C16H13N/c1-2-8-15(9-3-1)17-16-11-10-13-6-4-5-7-14(13)12-16/h2-12H,1H2
InChIKeyOFHAHVKEOSCPRR-UHFFFAOYSA-N
XLogP4.43
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

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CID 14647680
mercury(2+);bis(naphthalene-2-carboxylate)
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CID 163686062

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-ylcyclohexa-2,5-dien-1-imine?
The IUPAC name of N-naphthalen-2-ylcyclohexa-2,5-dien-1-imine (CID 23355495) is N-naphthalen-2-ylcyclohexa-2,5-dien-1-imine.
What is the SMILES notation for N-naphthalen-2-ylcyclohexa-2,5-dien-1-imine?
The canonical SMILES for N-naphthalen-2-ylcyclohexa-2,5-dien-1-imine is C1=CC(=Nc2ccc3ccccc3c2)C=CC1.
What is the InChIKey of N-naphthalen-2-ylcyclohexa-2,5-dien-1-imine?
The InChIKey is OFHAHVKEOSCPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N/c1-2-8-15(9-3-1)17-16-11-10-13-6-4-5-7-14(13)12-16/h2-12H,1H2.
What are the key properties of N-naphthalen-2-ylcyclohexa-2,5-dien-1-imine?
N-naphthalen-2-ylcyclohexa-2,5-dien-1-imine has a molecular weight of 219.29 g/mol, XLogP of 4.43, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-2-ylcyclohexa-2,5-dien-1-imine is sourced from PubChem (CID 23355495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).