CID 59416194

C11H11BN2O2 — CID 59416194

IUPAC—
SMILES[B]/C=C\C(=O)NNC(=O)Cc1ccccc1
InChIInChI=1S/C11H11BN2O2/c12-7-6-10(15)13-14-11(16)8-9-4-2-1-3-5-9/h1-7H,8H2,(H,13,15)(H,14,16)/b7-6-
InChIKeyFOMAFUUYLGDZDH-SREVYHEPSA-N
MW214.03 g/mol
LogP0.06
Rot. Bonds3

About CID 59416194

CID 59416194 (PubChem CID 59416194) has the molecular formula C11H11BN2O2 and a molecular weight of 214.03 g/mol.

Molecular Properties

Compound NameCID 59416194
PubChem CID59416194
Molecular FormulaC11H11BN2O2
Molecular Weight214.03 g/mol
Exact Mass214.09
IUPAC Name—
SMILES[B]/C=C\C(=O)NNC(=O)Cc1ccccc1
InChIInChI=1S/C11H11BN2O2/c12-7-6-10(15)13-14-11(16)8-9-4-2-1-3-5-9/h1-7H,8H2,(H,13,15)(H,14,16)/b7-6-
InChIKeyFOMAFUUYLGDZDH-SREVYHEPSA-N
XLogP0.06
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.03
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(4-fluorophenyl)-N'-(2-phenylacetyl)prop-2-enehydrazide
CID 923626
N'-(2-chloroacetyl)-2-phenylacetohydrazide
CID 1133001
(E)-N'-(2-phenylacetyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enehydrazide
CID 24637532
2-phenyl-N-[[(2-phenylacetyl)amino]methyl]acetamide
CID 13210427
(E)-N'-(2-phenylacetyl)-3-quinolin-8-ylprop-2-enehydrazide
CID 24623966
(E)-3-[5-(2-methylcyclopropyl)furan-2-yl]-N'-(2-phenylacetyl)prop-2-enehydrazide
CID 42921726
1,3-diphenyl(213C)propan-2-one
CID 100945080
(Z)-4-[2-[2-(4-methoxyphenyl)acetyl]hydrazinyl]-4-oxobut-2-enoic acid
CID 92957533
trans-(1R,2R)-2-[[(2-phenylacetyl)amino]carbamoyl]cyclohexane-1-carboxylic acid
CID 6545228
N'-(2-phenylacetyl)-4-phenylsulfanylbutanehydrazide
CID 4787769
4-bromo-N'-(2-phenylacetyl)benzohydrazide
CID 2304118
3-methyl-5-oxo-5-[2-(2-phenylacetyl)hydrazinyl]pentanoic acid
CID 45126635

Frequently Asked Questions

What is the IUPAC name of CID 59416194?
The IUPAC name of CID 59416194 (CID 59416194) is not available.
What is the SMILES notation for CID 59416194?
The canonical SMILES for CID 59416194 is [B]/C=C\C(=O)NNC(=O)Cc1ccccc1.
What is the InChIKey of CID 59416194?
The InChIKey is FOMAFUUYLGDZDH-SREVYHEPSA-N. The full InChI is InChI=1S/C11H11BN2O2/c12-7-6-10(15)13-14-11(16)8-9-4-2-1-3-5-9/h1-7H,8H2,(H,13,15)(H,14,16)/b7-6-.
What are the key properties of CID 59416194?
CID 59416194 has a molecular weight of 214.03 g/mol, XLogP of 0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59416194 is sourced from PubChem (CID 59416194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).