CID 59694722

C6H12NO — CID 59694722

IUPAC—
SMILESCC(C)[C@@H]1CO[CH]N1
InChIInChI=1S/C6H12NO/c1-5(2)6-3-8-4-7-6/h4-7H,3H2,1-2H3/t6-/m0/s1
InChIKeyTWXBMRFPHQPGOZ-LURJTMIESA-N
MW114.17 g/mol
LogP0.75
Rot. Bonds1

About CID 59694722

CID 59694722 (PubChem CID 59694722) has the molecular formula C6H12NO and a molecular weight of 114.17 g/mol.

Molecular Properties

Compound NameCID 59694722
PubChem CID59694722
Molecular FormulaC6H12NO
Molecular Weight114.17 g/mol
Exact Mass114.09
IUPAC Name—
SMILESCC(C)[C@@H]1CO[CH]N1
InChIInChI=1S/C6H12NO/c1-5(2)6-3-8-4-7-6/h4-7H,3H2,1-2H3/t6-/m0/s1
InChIKeyTWXBMRFPHQPGOZ-LURJTMIESA-N
XLogP0.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.17
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 59694722?
The IUPAC name of CID 59694722 (CID 59694722) is not available.
What is the SMILES notation for CID 59694722?
The canonical SMILES for CID 59694722 is CC(C)[C@@H]1CO[CH]N1.
What is the InChIKey of CID 59694722?
The InChIKey is TWXBMRFPHQPGOZ-LURJTMIESA-N. The full InChI is InChI=1S/C6H12NO/c1-5(2)6-3-8-4-7-6/h4-7H,3H2,1-2H3/t6-/m0/s1.
What are the key properties of CID 59694722?
CID 59694722 has a molecular weight of 114.17 g/mol, XLogP of 0.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59694722 is sourced from PubChem (CID 59694722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).