2-chloro-4-ethenyliminonaphthalen-1-one

C12H8ClNO — CID 91567894

IUPAC2-chloro-4-ethenyliminonaphthalen-1-one
SMILESC=C/N=C1\C=C(Cl)C(=O)c2ccccc21
InChIInChI=1S/C12H8ClNO/c1-2-14-11-7-10(13)12(15)9-6-4-3-5-8(9)11/h2-7H,1H2/b14-11+
InChIKeyCWPWLVRVGZXOSE-SDNWHVSQSA-N
MW217.66 g/mol
LogP2.94
Rot. Bonds1

About 2-chloro-4-ethenyliminonaphthalen-1-one

2-chloro-4-ethenyliminonaphthalen-1-one (PubChem CID 91567894) has the molecular formula C12H8ClNO and a molecular weight of 217.66 g/mol. Its IUPAC name is 2-chloro-4-ethenyliminonaphthalen-1-one.

Molecular Properties

Compound Name2-chloro-4-ethenyliminonaphthalen-1-one
PubChem CID91567894
Molecular FormulaC12H8ClNO
Molecular Weight217.66 g/mol
Exact Mass217.03
IUPAC Name2-chloro-4-ethenyliminonaphthalen-1-one
SMILESC=C/N=C1\C=C(Cl)C(=O)c2ccccc21
InChIInChI=1S/C12H8ClNO/c1-2-14-11-7-10(13)12(15)9-6-4-3-5-8(9)11/h2-7H,1H2/b14-11+
InChIKeyCWPWLVRVGZXOSE-SDNWHVSQSA-N
XLogP2.94
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.66
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'ene_one_hal(17)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-ethenyliminonaphthalen-1-one?
The IUPAC name of 2-chloro-4-ethenyliminonaphthalen-1-one (CID 91567894) is 2-chloro-4-ethenyliminonaphthalen-1-one.
What is the SMILES notation for 2-chloro-4-ethenyliminonaphthalen-1-one?
The canonical SMILES for 2-chloro-4-ethenyliminonaphthalen-1-one is C=C/N=C1\C=C(Cl)C(=O)c2ccccc21.
What is the InChIKey of 2-chloro-4-ethenyliminonaphthalen-1-one?
The InChIKey is CWPWLVRVGZXOSE-SDNWHVSQSA-N. The full InChI is InChI=1S/C12H8ClNO/c1-2-14-11-7-10(13)12(15)9-6-4-3-5-8(9)11/h2-7H,1H2/b14-11+.
What are the key properties of 2-chloro-4-ethenyliminonaphthalen-1-one?
2-chloro-4-ethenyliminonaphthalen-1-one has a molecular weight of 217.66 g/mol, XLogP of 2.94, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-ethenyliminonaphthalen-1-one is sourced from PubChem (CID 91567894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).