CID 123148598

C5H8NO2- — CID 123148598

IUPAC—
SMILES[CH2-]N1COCCC1=O
InChIInChI=1S/C5H8NO2/c1-6-4-8-3-2-5(6)7/h1-4H2/q-1
InChIKeyVOQPBIOWTXJZKR-UHFFFAOYSA-N
MW114.12 g/mol
LogP-0.02
Rot. Bonds

About CID 123148598

CID 123148598 (PubChem CID 123148598) has the molecular formula C5H8NO2- and a molecular weight of 114.12 g/mol.

Molecular Properties

Compound NameCID 123148598
PubChem CID123148598
Molecular FormulaC5H8NO2-
Molecular Weight114.12 g/mol
Exact Mass114.06
IUPAC Name—
SMILES[CH2-]N1COCCC1=O
InChIInChI=1S/C5H8NO2/c1-6-4-8-3-2-5(6)7/h1-4H2/q-1
InChIKeyVOQPBIOWTXJZKR-UHFFFAOYSA-N
XLogP-0.02
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.12
LogP ≤ 5-0.02
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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Frequently Asked Questions

What is the IUPAC name of CID 123148598?
The IUPAC name of CID 123148598 (CID 123148598) is not available.
What is the SMILES notation for CID 123148598?
The canonical SMILES for CID 123148598 is [CH2-]N1COCCC1=O.
What is the InChIKey of CID 123148598?
The InChIKey is VOQPBIOWTXJZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8NO2/c1-6-4-8-3-2-5(6)7/h1-4H2/q-1.
What are the key properties of CID 123148598?
CID 123148598 has a molecular weight of 114.12 g/mol, XLogP of -0.02, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 123148598 is sourced from PubChem (CID 123148598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).