CID 177359371

C11H10BNO2 — CID 177359371

IUPAC—
SMILES[B]c1ccn2cc(C(=O)OCC)cc2c1
InChIInChI=1S/C11H10BNO2/c1-2-15-11(14)8-5-10-6-9(12)3-4-13(10)7-8/h3-7H,2H2,1H3
InChIKeyXJNBMZSKFATJDP-UHFFFAOYSA-N
MW199.02 g/mol
LogP0.91
Rot. Bonds2

About CID 177359371

CID 177359371 (PubChem CID 177359371) has the molecular formula C11H10BNO2 and a molecular weight of 199.02 g/mol.

Molecular Properties

Compound NameCID 177359371
PubChem CID177359371
Molecular FormulaC11H10BNO2
Molecular Weight199.02 g/mol
Exact Mass199.08
IUPAC Name—
SMILES[B]c1ccn2cc(C(=O)OCC)cc2c1
InChIInChI=1S/C11H10BNO2/c1-2-15-11(14)8-5-10-6-9(12)3-4-13(10)7-8/h3-7H,2H2,1H3
InChIKeyXJNBMZSKFATJDP-UHFFFAOYSA-N
XLogP0.91
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.02
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 7-benzoylindolizine-2-carboxylate
CID 71386260
ethyl 7-[(2-methylpropan-2-yl)oxycarbonylamino]indolizine-2-carboxylate
CID 130458351
ethyl pyrrolo[1,2-d][1,2,4]triazine-7-carboxylate
CID 146473667
ethyl 8-aminoindolizine-2-carboxylate
CID 131575928
ethyl 6-[(Z)-4-hydroxybut-2-en-2-yl]indolizine-2-carboxylate
CID 67068234
ethyl 2-methylpyrrolo[2,1-b][1,3]thiazole-6-carboxylate
CID 155060092
ethyl 1-methylpyrrole-3-carboxylate;hydrochloride
CID 141408299
ethyl 6-methyl-2-propanoylindolizine-7-carboxylate
CID 102279061
ethyl 2-(indolizine-2-carbonylamino)acetate
CID 46845554
CID 158970570
CID 158970570
diethyl benzene-1,3-dicarboxylate
CID 12491
ethyl 2,3-dibromoindolizine-7-carboxylate
CID 102279056

Frequently Asked Questions

What is the IUPAC name of CID 177359371?
The IUPAC name of CID 177359371 (CID 177359371) is not available.
What is the SMILES notation for CID 177359371?
The canonical SMILES for CID 177359371 is [B]c1ccn2cc(C(=O)OCC)cc2c1.
What is the InChIKey of CID 177359371?
The InChIKey is XJNBMZSKFATJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BNO2/c1-2-15-11(14)8-5-10-6-9(12)3-4-13(10)7-8/h3-7H,2H2,1H3.
What are the key properties of CID 177359371?
CID 177359371 has a molecular weight of 199.02 g/mol, XLogP of 0.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 177359371 is sourced from PubChem (CID 177359371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).