CID 57409280

C17H17NO3 — CID 57409280

IUPAC—
SMILESCN1C(=O)c2ccccc2C2(OC3(CCC3)C23CC3)C1=O
InChIInChI=1S/C17H17NO3/c1-18-13(19)11-5-2-3-6-12(11)17(14(18)20)15(9-10-15)16(21-17)7-4-8-16/h2-3,5-6H,4,7-10H2,1H3
InChIKeyQFIJOMZBZNBBRP-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.23
Rot. Bonds

About CID 57409280

CID 57409280 (PubChem CID 57409280) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol.

Molecular Properties

Compound NameCID 57409280
PubChem CID57409280
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name—
SMILESCN1C(=O)c2ccccc2C2(OC3(CCC3)C23CC3)C1=O
InChIInChI=1S/C17H17NO3/c1-18-13(19)11-5-2-3-6-12(11)17(14(18)20)15(9-10-15)16(21-17)7-4-8-16/h2-3,5-6H,4,7-10H2,1H3
InChIKeyQFIJOMZBZNBBRP-UHFFFAOYSA-N
XLogP2.23
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 57409280?
The IUPAC name of CID 57409280 (CID 57409280) is not available.
What is the SMILES notation for CID 57409280?
The canonical SMILES for CID 57409280 is CN1C(=O)c2ccccc2C2(OC3(CCC3)C23CC3)C1=O.
What is the InChIKey of CID 57409280?
The InChIKey is QFIJOMZBZNBBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-18-13(19)11-5-2-3-6-12(11)17(14(18)20)15(9-10-15)16(21-17)7-4-8-16/h2-3,5-6H,4,7-10H2,1H3.
What are the key properties of CID 57409280?
CID 57409280 has a molecular weight of 283.33 g/mol, XLogP of 2.23, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 57409280 is sourced from PubChem (CID 57409280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).