CID 59303726

C4H7NO2 — CID 59303726

IUPAC—
SMILES[CH]C(=O)N(C)OC
InChIInChI=1S/C4H7NO2/c1-4(6)5(2)7-3/h1H,2-3H3
InChIKeyCUQOCIDWHPMPHY-UHFFFAOYSA-N
MW101.10 g/mol
LogP-0.28
Rot. Bonds1

About CID 59303726

CID 59303726 (PubChem CID 59303726) has the molecular formula C4H7NO2 and a molecular weight of 101.10 g/mol.

Molecular Properties

Compound NameCID 59303726
PubChem CID59303726
Molecular FormulaC4H7NO2
Molecular Weight101.10 g/mol
Exact Mass101.05
IUPAC Name—
SMILES[CH]C(=O)N(C)OC
InChIInChI=1S/C4H7NO2/c1-4(6)5(2)7-3/h1H,2-3H3
InChIKeyCUQOCIDWHPMPHY-UHFFFAOYSA-N
XLogP-0.28
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.10
LogP ≤ 5-0.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 59303726?
The IUPAC name of CID 59303726 (CID 59303726) is not available.
What is the SMILES notation for CID 59303726?
The canonical SMILES for CID 59303726 is [CH]C(=O)N(C)OC.
What is the InChIKey of CID 59303726?
The InChIKey is CUQOCIDWHPMPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO2/c1-4(6)5(2)7-3/h1H,2-3H3.
What are the key properties of CID 59303726?
CID 59303726 has a molecular weight of 101.10 g/mol, XLogP of -0.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59303726 is sourced from PubChem (CID 59303726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).