CID 102300750

C13H23N2O3 — CID 102300750

IUPAC—
SMILESCC1(C)CC(NC(=O)CCC=O)CC(C)(C)N1[O]
InChIInChI=1S/C13H23N2O3/c1-12(2)8-10(9-13(3,4)15(12)18)14-11(17)6-5-7-16/h7,10H,5-6,8-9H2,1-4H3,(H,14,17)
InChIKeyZLHGGQQUQCOQJH-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.45
Rot. Bonds4

About CID 102300750

CID 102300750 (PubChem CID 102300750) has the molecular formula C13H23N2O3 and a molecular weight of 255.34 g/mol.

Molecular Properties

Compound NameCID 102300750
PubChem CID102300750
Molecular FormulaC13H23N2O3
Molecular Weight255.34 g/mol
Exact Mass255.17
IUPAC Name—
SMILESCC1(C)CC(NC(=O)CCC=O)CC(C)(C)N1[O]
InChIInChI=1S/C13H23N2O3/c1-12(2)8-10(9-13(3,4)15(12)18)14-11(17)6-5-7-16/h7,10H,5-6,8-9H2,1-4H3,(H,14,17)
InChIKeyZLHGGQQUQCOQJH-UHFFFAOYSA-N
XLogP1.45
TPSA69.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 102300750?
The IUPAC name of CID 102300750 (CID 102300750) is not available.
What is the SMILES notation for CID 102300750?
The canonical SMILES for CID 102300750 is CC1(C)CC(NC(=O)CCC=O)CC(C)(C)N1[O].
What is the InChIKey of CID 102300750?
The InChIKey is ZLHGGQQUQCOQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N2O3/c1-12(2)8-10(9-13(3,4)15(12)18)14-11(17)6-5-7-16/h7,10H,5-6,8-9H2,1-4H3,(H,14,17).
What are the key properties of CID 102300750?
CID 102300750 has a molecular weight of 255.34 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 102300750 is sourced from PubChem (CID 102300750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).