CID 174552473

C10H14BNP — CID 174552473

IUPAC—
SMILES[H]/N=C(\CCC)c1ccc([B]P)cc1
InChIInChI=1S/C10H14BNP/c1-2-3-10(12)8-4-6-9(11-13)7-5-8/h4-7,12H,2-3,13H2,1H3/b12-10+
InChIKeyIWJVDGNKLYFTJL-ZRDIBKRKSA-N
MW190.02 g/mol
LogP1.97
Rot. Bonds4

About CID 174552473

CID 174552473 (PubChem CID 174552473) has the molecular formula C10H14BNP and a molecular weight of 190.02 g/mol.

Molecular Properties

Compound NameCID 174552473
PubChem CID174552473
Molecular FormulaC10H14BNP
Molecular Weight190.02 g/mol
Exact Mass190.10
IUPAC Name—
SMILES[H]/N=C(\CCC)c1ccc([B]P)cc1
InChIInChI=1S/C10H14BNP/c1-2-3-10(12)8-4-6-9(11-13)7-5-8/h4-7,12H,2-3,13H2,1H3/b12-10+
InChIKeyIWJVDGNKLYFTJL-ZRDIBKRKSA-N
XLogP1.97
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.02
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

Acetophenone oxime
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2-(1-Phenylethylidene)hydrazinecarboximidamide
CID 5916478
Acetophenonoxime
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Benzophenone imine
CID 136809
1-Phenyl-1-ethanone oxime
CID 5324612
(Z)-(1-phenylethylidene)hydrazine
CID 5486169
1-p-Tolylethanimine
CID 290601
Propiophenone oxime
CID 5385533
3-Imino-3-phenylpropionitrile
CID 85323
(E)-1-(4-butyltellanylphenyl)ethylidenehydrazine
CID 155566261
1-Phenylethan-1-one hydrazone
CID 5749243
1-Butanone, 1-phenyl-, oxime
CID 11979253

Frequently Asked Questions

What is the IUPAC name of CID 174552473?
The IUPAC name of CID 174552473 (CID 174552473) is not available.
What is the SMILES notation for CID 174552473?
The canonical SMILES for CID 174552473 is [H]/N=C(\CCC)c1ccc([B]P)cc1.
What is the InChIKey of CID 174552473?
The InChIKey is IWJVDGNKLYFTJL-ZRDIBKRKSA-N. The full InChI is InChI=1S/C10H14BNP/c1-2-3-10(12)8-4-6-9(11-13)7-5-8/h4-7,12H,2-3,13H2,1H3/b12-10+.
What are the key properties of CID 174552473?
CID 174552473 has a molecular weight of 190.02 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174552473 is sourced from PubChem (CID 174552473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).