CID 58998342

C6H11NO — CID 58998342

IUPAC—
SMILES[CH]N1CCCC(O)C1
InChIInChI=1S/C6H11NO/c1-7-4-2-3-6(8)5-7/h1,6,8H,2-5H2
InChIKeyZEOIQOFGRGGJJI-UHFFFAOYSA-N
MW113.16 g/mol
LogP0.11
Rot. Bonds

About CID 58998342

CID 58998342 (PubChem CID 58998342) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol.

Molecular Properties

Compound NameCID 58998342
PubChem CID58998342
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name—
SMILES[CH]N1CCCC(O)C1
InChIInChI=1S/C6H11NO/c1-7-4-2-3-6(8)5-7/h1,6,8H,2-5H2
InChIKeyZEOIQOFGRGGJJI-UHFFFAOYSA-N
XLogP0.11
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 58998342?
The IUPAC name of CID 58998342 (CID 58998342) is not available.
What is the SMILES notation for CID 58998342?
The canonical SMILES for CID 58998342 is [CH]N1CCCC(O)C1.
What is the InChIKey of CID 58998342?
The InChIKey is ZEOIQOFGRGGJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c1-7-4-2-3-6(8)5-7/h1,6,8H,2-5H2.
What are the key properties of CID 58998342?
CID 58998342 has a molecular weight of 113.16 g/mol, XLogP of 0.11, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58998342 is sourced from PubChem (CID 58998342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).