CID 58998284

C6H11NO — CID 58998284

IUPAC—
SMILES[CH]C(=O)N(CC)CC
InChIInChI=1S/C6H11NO/c1-4-7(5-2)6(3)8/h3H,4-5H2,1-2H3
InChIKeyCAKFOQABKXZOKB-UHFFFAOYSA-N
MW113.16 g/mol
LogP0.57
Rot. Bonds2

About CID 58998284

CID 58998284 (PubChem CID 58998284) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol.

Molecular Properties

Compound NameCID 58998284
PubChem CID58998284
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name—
SMILES[CH]C(=O)N(CC)CC
InChIInChI=1S/C6H11NO/c1-4-7(5-2)6(3)8/h3H,4-5H2,1-2H3
InChIKeyCAKFOQABKXZOKB-UHFFFAOYSA-N
XLogP0.57
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 58998284?
The IUPAC name of CID 58998284 (CID 58998284) is not available.
What is the SMILES notation for CID 58998284?
The canonical SMILES for CID 58998284 is [CH]C(=O)N(CC)CC.
What is the InChIKey of CID 58998284?
The InChIKey is CAKFOQABKXZOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c1-4-7(5-2)6(3)8/h3H,4-5H2,1-2H3.
What are the key properties of CID 58998284?
CID 58998284 has a molecular weight of 113.16 g/mol, XLogP of 0.57, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58998284 is sourced from PubChem (CID 58998284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).