CID 164671221

C8H4NO — CID 164671221

IUPAC—
SMILESO=C1[C]=Nc2ccccc21
InChIInChI=1S/C8H4NO/c10-8-5-9-7-4-2-1-3-6(7)8/h1-4H
InChIKeyWKLWHVAXBDQHQC-UHFFFAOYSA-N
MW130.13 g/mol
LogP1.46
Rot. Bonds

About CID 164671221

CID 164671221 (PubChem CID 164671221) has the molecular formula C8H4NO and a molecular weight of 130.13 g/mol.

Molecular Properties

Compound NameCID 164671221
PubChem CID164671221
Molecular FormulaC8H4NO
Molecular Weight130.13 g/mol
Exact Mass130.03
IUPAC Name—
SMILESO=C1[C]=Nc2ccccc21
InChIInChI=1S/C8H4NO/c10-8-5-9-7-4-2-1-3-6(7)8/h1-4H
InChIKeyWKLWHVAXBDQHQC-UHFFFAOYSA-N
XLogP1.46
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.13
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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anthracene-9,10-dione;hydrofluoride
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lithium;anthracene-9,10-dione;hydride
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phenanthrene-9,10-dione
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4-oxo-3H-quinoline-3-carboxylic acid;sulfuric acid
CID 172691587
3-[(E)-2-phenylethenyl]-3H-quinolin-4-one
CID 134695074
CID 118898551
CID 118898551
anthracene-9,10-dione;platinum(2+);dichloride
CID 174702138

Frequently Asked Questions

What is the IUPAC name of CID 164671221?
The IUPAC name of CID 164671221 (CID 164671221) is not available.
What is the SMILES notation for CID 164671221?
The canonical SMILES for CID 164671221 is O=C1[C]=Nc2ccccc21.
What is the InChIKey of CID 164671221?
The InChIKey is WKLWHVAXBDQHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4NO/c10-8-5-9-7-4-2-1-3-6(7)8/h1-4H.
What are the key properties of CID 164671221?
CID 164671221 has a molecular weight of 130.13 g/mol, XLogP of 1.46, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 164671221 is sourced from PubChem (CID 164671221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).