CID 59694525

C6H9NO — CID 59694525

IUPAC—
SMILES[CH]C1CC(CC)=NO1
InChIInChI=1S/C6H9NO/c1-3-6-4-5(2)8-7-6/h2,5H,3-4H2,1H3
InChIKeyIWEZGVZWCYBGKG-UHFFFAOYSA-N
MW111.14 g/mol
LogP1.25
Rot. Bonds1

About CID 59694525

CID 59694525 (PubChem CID 59694525) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol.

Molecular Properties

Compound NameCID 59694525
PubChem CID59694525
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Name—
SMILES[CH]C1CC(CC)=NO1
InChIInChI=1S/C6H9NO/c1-3-6-4-5(2)8-7-6/h2,5H,3-4H2,1H3
InChIKeyIWEZGVZWCYBGKG-UHFFFAOYSA-N
XLogP1.25
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.14
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 59694525?
The IUPAC name of CID 59694525 (CID 59694525) is not available.
What is the SMILES notation for CID 59694525?
The canonical SMILES for CID 59694525 is [CH]C1CC(CC)=NO1.
What is the InChIKey of CID 59694525?
The InChIKey is IWEZGVZWCYBGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO/c1-3-6-4-5(2)8-7-6/h2,5H,3-4H2,1H3.
What are the key properties of CID 59694525?
CID 59694525 has a molecular weight of 111.14 g/mol, XLogP of 1.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59694525 is sourced from PubChem (CID 59694525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).