CID 154484730

C5H6NO- — CID 154484730

IUPAC—
SMILESCCOC1=CN=[C-]1
InChIInChI=1S/C5H6NO/c1-2-7-5-3-6-4-5/h3H,2H2,1H3/q-1
InChIKeyFNPNSMPAWSCRSZ-UHFFFAOYSA-N
MW96.11 g/mol
LogP0.83
Rot. Bonds2

About CID 154484730

CID 154484730 (PubChem CID 154484730) has the molecular formula C5H6NO- and a molecular weight of 96.11 g/mol.

Molecular Properties

Compound NameCID 154484730
PubChem CID154484730
Molecular FormulaC5H6NO-
Molecular Weight96.11 g/mol
Exact Mass96.05
IUPAC Name—
SMILESCCOC1=CN=[C-]1
InChIInChI=1S/C5H6NO/c1-2-7-5-3-6-4-5/h3H,2H2,1H3/q-1
InChIKeyFNPNSMPAWSCRSZ-UHFFFAOYSA-N
XLogP0.83
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.11
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Methoxyazete
CID 154483457
CID 154483456
CID 154483456

Frequently Asked Questions

What is the IUPAC name of CID 154484730?
The IUPAC name of CID 154484730 (CID 154484730) is not available.
What is the SMILES notation for CID 154484730?
The canonical SMILES for CID 154484730 is CCOC1=CN=[C-]1.
What is the InChIKey of CID 154484730?
The InChIKey is FNPNSMPAWSCRSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6NO/c1-2-7-5-3-6-4-5/h3H,2H2,1H3/q-1.
What are the key properties of CID 154484730?
CID 154484730 has a molecular weight of 96.11 g/mol, XLogP of 0.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 154484730 is sourced from PubChem (CID 154484730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).