CID 58297581

C5H10NO2 — CID 58297581

IUPAC—
SMILESC[CH]C(=O)N(C)OC
InChIInChI=1S/C5H10NO2/c1-4-5(7)6(2)8-3/h4H,1-3H3
InChIKeyOEEAYRCITYHDQT-UHFFFAOYSA-N
MW116.14 g/mol
LogP0.23
Rot. Bonds2

About CID 58297581

CID 58297581 (PubChem CID 58297581) has the molecular formula C5H10NO2 and a molecular weight of 116.14 g/mol.

Molecular Properties

Compound NameCID 58297581
PubChem CID58297581
Molecular FormulaC5H10NO2
Molecular Weight116.14 g/mol
Exact Mass116.07
IUPAC Name—
SMILESC[CH]C(=O)N(C)OC
InChIInChI=1S/C5H10NO2/c1-4-5(7)6(2)8-3/h4H,1-3H3
InChIKeyOEEAYRCITYHDQT-UHFFFAOYSA-N
XLogP0.23
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.14
LogP ≤ 50.23
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 58297581?
The IUPAC name of CID 58297581 (CID 58297581) is not available.
What is the SMILES notation for CID 58297581?
The canonical SMILES for CID 58297581 is C[CH]C(=O)N(C)OC.
What is the InChIKey of CID 58297581?
The InChIKey is OEEAYRCITYHDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10NO2/c1-4-5(7)6(2)8-3/h4H,1-3H3.
What are the key properties of CID 58297581?
CID 58297581 has a molecular weight of 116.14 g/mol, XLogP of 0.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58297581 is sourced from PubChem (CID 58297581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).