CID 155730474

C11H13BN2O — CID 155730474

IUPAC—
SMILES[B]c1ccc(C(=O)C2CCNCC2)cn1
InChIInChI=1S/C11H13BN2O/c12-10-2-1-9(7-14-10)11(15)8-3-5-13-6-4-8/h1-2,7-8,13H,3-6H2
InChIKeyVKRGIZKXZRMAOH-UHFFFAOYSA-N
MW200.05 g/mol
LogP0.06
Rot. Bonds2

About CID 155730474

CID 155730474 (PubChem CID 155730474) has the molecular formula C11H13BN2O and a molecular weight of 200.05 g/mol.

Molecular Properties

Compound NameCID 155730474
PubChem CID155730474
Molecular FormulaC11H13BN2O
Molecular Weight200.05 g/mol
Exact Mass200.11
IUPAC Name—
SMILES[B]c1ccc(C(=O)C2CCNCC2)cn1
InChIInChI=1S/C11H13BN2O/c12-10-2-1-9(7-14-10)11(15)8-3-5-13-6-4-8/h1-2,7-8,13H,3-6H2
InChIKeyVKRGIZKXZRMAOH-UHFFFAOYSA-N
XLogP0.06
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.05
LogP ≤ 50.06
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

CID 155730317
CID 155730317
piperidin-4-yl(pyridin-3-yl)methanone;hydrochloride
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pyrrolidin-3-yl(quinolin-3-yl)methanone
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(4-hydroxyphenyl)-piperidin-4-ylmethanone;hydrochloride
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(5-fluoro-3-pyridinyl)-piperidin-4-ylmethanone
CID 67993080
(6-bromo-3-pyridinyl)-piperidin-4-ylmethanone;tert-butyl formate
CID 175122441
(6-chloro-3-pyridinyl)-cyclopropylmethanone
CID 11550101
piperidin-4-yl-(4-trimethylsilyloxyphenyl)methanone
CID 167722571
[2-[3-(hydroxymethyl)phenyl]pyrimidin-5-yl]-piperidin-4-ylmethanone
CID 175605734
(1-methylbenzimidazol-5-yl)-piperidin-4-ylmethanone
CID 82341526
(4-chlorophenyl)-[1-(piperidine-4-carbonyl)piperidin-4-yl]methanone;(4-chlorophenyl)-piperidin-4-ylmethanone;hydrochloride
CID 160738469
2,1,3-benzoxadiazol-5-yl(piperidin-4-yl)methanone;hydrochloride
CID 67916351

Frequently Asked Questions

What is the IUPAC name of CID 155730474?
The IUPAC name of CID 155730474 (CID 155730474) is not available.
What is the SMILES notation for CID 155730474?
The canonical SMILES for CID 155730474 is [B]c1ccc(C(=O)C2CCNCC2)cn1.
What is the InChIKey of CID 155730474?
The InChIKey is VKRGIZKXZRMAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BN2O/c12-10-2-1-9(7-14-10)11(15)8-3-5-13-6-4-8/h1-2,7-8,13H,3-6H2.
What are the key properties of CID 155730474?
CID 155730474 has a molecular weight of 200.05 g/mol, XLogP of 0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 155730474 is sourced from PubChem (CID 155730474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).