CID 59037760

C12H23NO — CID 59037760

IUPAC—
SMILES[CH]C(C)COCC/N=C(\C)CC(C)C
InChIInChI=1S/C12H23NO/c1-10(2)8-12(5)13-6-7-14-9-11(3)4/h3,10-11H,6-9H2,1-2,4-5H3/b13-12+
InChIKeyXZLSLXTYVILRJB-OUKQBFOZSA-N
MW197.32 g/mol
LogP2.86
Rot. Bonds7

About CID 59037760

CID 59037760 (PubChem CID 59037760) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol.

Molecular Properties

Compound NameCID 59037760
PubChem CID59037760
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name—
SMILES[CH]C(C)COCC/N=C(\C)CC(C)C
InChIInChI=1S/C12H23NO/c1-10(2)8-12(5)13-6-7-14-9-11(3)4/h3,10-11H,6-9H2,1-2,4-5H3/b13-12+
InChIKeyXZLSLXTYVILRJB-OUKQBFOZSA-N
XLogP2.86
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 59037760?
The IUPAC name of CID 59037760 (CID 59037760) is not available.
What is the SMILES notation for CID 59037760?
The canonical SMILES for CID 59037760 is [CH]C(C)COCC/N=C(\C)CC(C)C.
What is the InChIKey of CID 59037760?
The InChIKey is XZLSLXTYVILRJB-OUKQBFOZSA-N. The full InChI is InChI=1S/C12H23NO/c1-10(2)8-12(5)13-6-7-14-9-11(3)4/h3,10-11H,6-9H2,1-2,4-5H3/b13-12+.
What are the key properties of CID 59037760?
CID 59037760 has a molecular weight of 197.32 g/mol, XLogP of 2.86, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59037760 is sourced from PubChem (CID 59037760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).