CID 58391094

C8H16NO2 — CID 58391094

IUPAC—
SMILESCNC(C)[CH]C(C)C(=O)OC
InChIInChI=1S/C8H16NO2/c1-6(8(10)11-4)5-7(2)9-3/h5-7,9H,1-4H3
InChIKeySJHMZDBVPZMXOF-UHFFFAOYSA-N
MW158.22 g/mol
LogP0.61
Rot. Bonds4

About CID 58391094

CID 58391094 (PubChem CID 58391094) has the molecular formula C8H16NO2 and a molecular weight of 158.22 g/mol.

Molecular Properties

Compound NameCID 58391094
PubChem CID58391094
Molecular FormulaC8H16NO2
Molecular Weight158.22 g/mol
Exact Mass158.12
IUPAC Name—
SMILESCNC(C)[CH]C(C)C(=O)OC
InChIInChI=1S/C8H16NO2/c1-6(8(10)11-4)5-7(2)9-3/h5-7,9H,1-4H3
InChIKeySJHMZDBVPZMXOF-UHFFFAOYSA-N
XLogP0.61
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.22
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 58391094?
The IUPAC name of CID 58391094 (CID 58391094) is not available.
What is the SMILES notation for CID 58391094?
The canonical SMILES for CID 58391094 is CNC(C)[CH]C(C)C(=O)OC.
What is the InChIKey of CID 58391094?
The InChIKey is SJHMZDBVPZMXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16NO2/c1-6(8(10)11-4)5-7(2)9-3/h5-7,9H,1-4H3.
What are the key properties of CID 58391094?
CID 58391094 has a molecular weight of 158.22 g/mol, XLogP of 0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58391094 is sourced from PubChem (CID 58391094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).