CID 132937224

C19H21NO5 — CID 132937224

IUPAC—
SMILESC=CC1CC2(CCC13C(=O)c1ccccc1N3C(=O)OC)OCCO2
InChIInChI=1S/C19H21NO5/c1-3-13-12-18(24-10-11-25-18)8-9-19(13)16(21)14-6-4-5-7-15(14)20(19)17(22)23-2/h3-7,13H,1,8-12H2,2H3
InChIKeyIJCDSURVUBZRGY-UHFFFAOYSA-N
MW343.38 g/mol
LogP2.92
Rot. Bonds1

About CID 132937224

CID 132937224 (PubChem CID 132937224) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol.

Molecular Properties

Compound NameCID 132937224
PubChem CID132937224
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC Name—
SMILESC=CC1CC2(CCC13C(=O)c1ccccc1N3C(=O)OC)OCCO2
InChIInChI=1S/C19H21NO5/c1-3-13-12-18(24-10-11-25-18)8-9-19(13)16(21)14-6-4-5-7-15(14)20(19)17(22)23-2/h3-7,13H,1,8-12H2,2H3
InChIKeyIJCDSURVUBZRGY-UHFFFAOYSA-N
XLogP2.92
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 132937224?
The IUPAC name of CID 132937224 (CID 132937224) is not available.
What is the SMILES notation for CID 132937224?
The canonical SMILES for CID 132937224 is C=CC1CC2(CCC13C(=O)c1ccccc1N3C(=O)OC)OCCO2.
What is the InChIKey of CID 132937224?
The InChIKey is IJCDSURVUBZRGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO5/c1-3-13-12-18(24-10-11-25-18)8-9-19(13)16(21)14-6-4-5-7-15(14)20(19)17(22)23-2/h3-7,13H,1,8-12H2,2H3.
What are the key properties of CID 132937224?
CID 132937224 has a molecular weight of 343.38 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 132937224 is sourced from PubChem (CID 132937224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).