CID 178005333

C15H13BN2O3 — CID 178005333

IUPAC—
SMILES[B]c1cccc2c1C1(CC1)C(=O)N2C1CCC(=O)NC1=O
InChIInChI=1S/C15H13BN2O3/c16-8-2-1-3-9-12(8)15(6-7-15)14(21)18(9)10-4-5-11(19)17-13(10)20/h1-3,10H,4-7H2,(H,17,19,20)
InChIKeyUKXXDLLBNDHCJD-UHFFFAOYSA-N
MW280.09 g/mol
LogP-0.34
Rot. Bonds1

About CID 178005333

CID 178005333 (PubChem CID 178005333) has the molecular formula C15H13BN2O3 and a molecular weight of 280.09 g/mol.

Molecular Properties

Compound NameCID 178005333
PubChem CID178005333
Molecular FormulaC15H13BN2O3
Molecular Weight280.09 g/mol
Exact Mass280.10
IUPAC Name—
SMILES[B]c1cccc2c1C1(CC1)C(=O)N2C1CCC(=O)NC1=O
InChIInChI=1S/C15H13BN2O3/c16-8-2-1-3-9-12(8)15(6-7-15)14(21)18(9)10-4-5-11(19)17-13(10)20/h1-3,10H,4-7H2,(H,17,19,20)
InChIKeyUKXXDLLBNDHCJD-UHFFFAOYSA-N
XLogP-0.34
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.09
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 3-[1-[1'-(2,6-dioxopiperidin-3-yl)-2'-oxospiro[cyclopropane-1,3'-indole]-4'-yl]azetidin-3-yl]azetidine-1-carboxylate;ethane
CID 178005412
3-[4'-[3-(azetidin-3-yloxymethyl)-1-bicyclo[1.1.0]butanyl]-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]piperidine-2,6-dione;ethane
CID 178005512
3-(2'-oxo-6'-propan-2-ylspiro[cyclopropane-1,3'-indole]-1'-yl)piperidine-2,6-dione
CID 170009867
3-(2'-oxo-5'-propylspiro[cyclopropane-1,3'-indole]-1'-yl)piperidine-2,6-dione
CID 167471509
2-(2,6-dioxo(115N)azinan-3-yl)isoindole-1,3-dione
CID 46898665
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 161120100
2-(2,6-dioxo(513C)azinan-3-yl)isoindole-1,3-dione
CID 46898587
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;ethane
CID 91469620
(1S,5R)-3-[(3R)-2,6-dioxopiperidin-3-yl]-3-azabicyclo[3.2.0]heptane-2,4-dione
CID 139075948
(3R)-3-(2,5-dioxopyrrolidin-1-yl)piperidine-2,6-dione
CID 121493318
3-spiro[2H-indole-3,4'-piperidine]-1-ylpiperidine-2,6-dione
CID 177175702
3-(2'-oxo-5-piperazin-1-ylspiro[1,3-dihydroindene-2,3'-indole]-1'-yl)piperidine-2,6-dione
CID 171618731

Frequently Asked Questions

What is the IUPAC name of CID 178005333?
The IUPAC name of CID 178005333 (CID 178005333) is not available.
What is the SMILES notation for CID 178005333?
The canonical SMILES for CID 178005333 is [B]c1cccc2c1C1(CC1)C(=O)N2C1CCC(=O)NC1=O.
What is the InChIKey of CID 178005333?
The InChIKey is UKXXDLLBNDHCJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BN2O3/c16-8-2-1-3-9-12(8)15(6-7-15)14(21)18(9)10-4-5-11(19)17-13(10)20/h1-3,10H,4-7H2,(H,17,19,20).
What are the key properties of CID 178005333?
CID 178005333 has a molecular weight of 280.09 g/mol, XLogP of -0.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 178005333 is sourced from PubChem (CID 178005333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).