CID 66827885

C11H14BN2O2 — CID 66827885

IUPAC—
SMILESCO[B]N1CCc2cc(NC(C)=O)ccc21
InChIInChI=1S/C11H14BN2O2/c1-8(15)13-10-3-4-11-9(7-10)5-6-14(11)12-16-2/h3-4,7H,5-6H2,1-2H3,(H,13,15)
InChIKeyUBWIOKDUCGOUJL-UHFFFAOYSA-N
MW217.06 g/mol
LogP1.19
Rot. Bonds3

About CID 66827885

CID 66827885 (PubChem CID 66827885) has the molecular formula C11H14BN2O2 and a molecular weight of 217.06 g/mol.

Molecular Properties

Compound NameCID 66827885
PubChem CID66827885
Molecular FormulaC11H14BN2O2
Molecular Weight217.06 g/mol
Exact Mass217.11
IUPAC Name—
SMILESCO[B]N1CCc2cc(NC(C)=O)ccc21
InChIInChI=1S/C11H14BN2O2/c1-8(15)13-10-3-4-11-9(7-10)5-6-14(11)12-16-2/h3-4,7H,5-6H2,1-2H3,(H,13,15)
InChIKeyUBWIOKDUCGOUJL-UHFFFAOYSA-N
XLogP1.19
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.06
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(5-acetamido-2,3-dihydroindol-1-yl)methyl]benzamide
CID 71812022
N-[1-[(4-propan-2-ylphenyl)methyl]-2,3-dihydroindol-5-yl]acetamide
CID 71811900
methyl N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)carbamate
CID 7658093
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(2-methoxyethoxy)acetamide
CID 103606736
2-methoxy-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]acetamide
CID 7656750
1-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-3-phenylurea
CID 110358442
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-bromoacetamide
CID 63679851
1-(1-acetyl-2,3-dihydroindol-5-yl)-3-(4-methylphenyl)urea
CID 17485020
methyl 5-[(1-acetyl-2,3-dihydroindol-5-yl)carbamoyl]thiophene-2-carboxylate
CID 35187739
1-(4-methoxyphenyl)-3-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]urea
CID 30373580
N-[1-[[4-(5-methyl-2H-pyrrol-3-yl)phenyl]methyl]-2,3-dihydroindol-5-yl]acetamide
CID 162001883
N-[1-[(4-tert-butylphenyl)methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide
CID 71811983

Frequently Asked Questions

What is the IUPAC name of CID 66827885?
The IUPAC name of CID 66827885 (CID 66827885) is not available.
What is the SMILES notation for CID 66827885?
The canonical SMILES for CID 66827885 is CO[B]N1CCc2cc(NC(C)=O)ccc21.
What is the InChIKey of CID 66827885?
The InChIKey is UBWIOKDUCGOUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BN2O2/c1-8(15)13-10-3-4-11-9(7-10)5-6-14(11)12-16-2/h3-4,7H,5-6H2,1-2H3,(H,13,15).
What are the key properties of CID 66827885?
CID 66827885 has a molecular weight of 217.06 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 66827885 is sourced from PubChem (CID 66827885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).