CID 10687939

C17H19N2O5 — CID 10687939

IUPAC—
SMILESCC1(C)c2ccc(C(=O)ON3C(=O)CCC3=O)cc2C(C)(C)N1[O]
InChIInChI=1S/C17H19N2O5/c1-16(2)11-6-5-10(9-12(11)17(3,4)19(16)23)15(22)24-18-13(20)7-8-14(18)21/h5-6,9H,7-8H2,1-4H3
InChIKeySDPIFRKLYGVWQN-UHFFFAOYSA-N
MW331.35 g/mol
LogP2.04
Rot. Bonds2

About CID 10687939

CID 10687939 (PubChem CID 10687939) has the molecular formula C17H19N2O5 and a molecular weight of 331.35 g/mol.

Molecular Properties

Compound NameCID 10687939
PubChem CID10687939
Molecular FormulaC17H19N2O5
Molecular Weight331.35 g/mol
Exact Mass331.13
IUPAC Name—
SMILESCC1(C)c2ccc(C(=O)ON3C(=O)CCC3=O)cc2C(C)(C)N1[O]
InChIInChI=1S/C17H19N2O5/c1-16(2)11-6-5-10(9-12(11)17(3,4)19(16)23)15(22)24-18-13(20)7-8-14(18)21/h5-6,9H,7-8H2,1-4H3
InChIKeySDPIFRKLYGVWQN-UHFFFAOYSA-N
XLogP2.04
TPSA86.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze CID 10687939 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 10687939?
The IUPAC name of CID 10687939 (CID 10687939) is not available.
What is the SMILES notation for CID 10687939?
The canonical SMILES for CID 10687939 is CC1(C)c2ccc(C(=O)ON3C(=O)CCC3=O)cc2C(C)(C)N1[O].
What is the InChIKey of CID 10687939?
The InChIKey is SDPIFRKLYGVWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N2O5/c1-16(2)11-6-5-10(9-12(11)17(3,4)19(16)23)15(22)24-18-13(20)7-8-14(18)21/h5-6,9H,7-8H2,1-4H3.
What are the key properties of CID 10687939?
CID 10687939 has a molecular weight of 331.35 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10687939 is sourced from PubChem (CID 10687939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).