CID 59037762

C13H25NO — CID 59037762

IUPAC—
SMILES[CH]C(CC)COCC/N=C(\C)CC(C)C
InChIInChI=1S/C13H25NO/c1-6-12(4)10-15-8-7-14-13(5)9-11(2)3/h4,11-12H,6-10H2,1-3,5H3/b14-13+
InChIKeyMZVNEKZDHZKIBA-BUHFOSPRSA-N
MW211.35 g/mol
LogP3.25
Rot. Bonds8

About CID 59037762

CID 59037762 (PubChem CID 59037762) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol.

Molecular Properties

Compound NameCID 59037762
PubChem CID59037762
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name—
SMILES[CH]C(CC)COCC/N=C(\C)CC(C)C
InChIInChI=1S/C13H25NO/c1-6-12(4)10-15-8-7-14-13(5)9-11(2)3/h4,11-12H,6-10H2,1-3,5H3/b14-13+
InChIKeyMZVNEKZDHZKIBA-BUHFOSPRSA-N
XLogP3.25
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.25
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 59037762?
The IUPAC name of CID 59037762 (CID 59037762) is not available.
What is the SMILES notation for CID 59037762?
The canonical SMILES for CID 59037762 is [CH]C(CC)COCC/N=C(\C)CC(C)C.
What is the InChIKey of CID 59037762?
The InChIKey is MZVNEKZDHZKIBA-BUHFOSPRSA-N. The full InChI is InChI=1S/C13H25NO/c1-6-12(4)10-15-8-7-14-13(5)9-11(2)3/h4,11-12H,6-10H2,1-3,5H3/b14-13+.
What are the key properties of CID 59037762?
CID 59037762 has a molecular weight of 211.35 g/mol, XLogP of 3.25, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59037762 is sourced from PubChem (CID 59037762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).