CID 5477792

C8H8NO — CID 5477792

IUPAC—
SMILESCC(=O)/N=C1/[CH]C=CC=C1
InChIInChI=1S/C8H8NO/c1-7(10)9-8-5-3-2-4-6-8/h2-6H,1H3
InChIKeyARCOZHZALRJAMG-UHFFFAOYSA-N
MW134.16 g/mol
LogP1.30
Rot. Bonds

About CID 5477792

CID 5477792 (PubChem CID 5477792) has the molecular formula C8H8NO and a molecular weight of 134.16 g/mol.

Molecular Properties

Compound NameCID 5477792
PubChem CID5477792
Molecular FormulaC8H8NO
Molecular Weight134.16 g/mol
Exact Mass134.06
IUPAC Name—
SMILESCC(=O)/N=C1/[CH]C=CC=C1
InChIInChI=1S/C8H8NO/c1-7(10)9-8-5-3-2-4-6-8/h2-6H,1H3
InChIKeyARCOZHZALRJAMG-UHFFFAOYSA-N
XLogP1.30
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.16
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 5477792?
The IUPAC name of CID 5477792 (CID 5477792) is not available.
What is the SMILES notation for CID 5477792?
The canonical SMILES for CID 5477792 is CC(=O)/N=C1/[CH]C=CC=C1.
What is the InChIKey of CID 5477792?
The InChIKey is ARCOZHZALRJAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8NO/c1-7(10)9-8-5-3-2-4-6-8/h2-6H,1H3.
What are the key properties of CID 5477792?
CID 5477792 has a molecular weight of 134.16 g/mol, XLogP of 1.30, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 5477792 is sourced from PubChem (CID 5477792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).