CID 174135762

C9H16B3N2O — CID 174135762

IUPAC—
SMILES[B][B]NC1CCCC(N([B])CC(C)=O)C1
InChIInChI=1S/C9H16B3N2O/c1-7(15)6-14(11)9-4-2-3-8(5-9)13-12-10/h8-9,13H,2-6H2,1H3
InChIKeyQTXIVMNFXBKQBK-UHFFFAOYSA-N
MW200.68 g/mol
LogP-0.44
Rot. Bonds5

About CID 174135762

CID 174135762 (PubChem CID 174135762) has the molecular formula C9H16B3N2O and a molecular weight of 200.68 g/mol.

Molecular Properties

Compound NameCID 174135762
PubChem CID174135762
Molecular FormulaC9H16B3N2O
Molecular Weight200.68 g/mol
Exact Mass201.15
IUPAC Name—
SMILES[B][B]NC1CCCC(N([B])CC(C)=O)C1
InChIInChI=1S/C9H16B3N2O/c1-7(15)6-14(11)9-4-2-3-8(5-9)13-12-10/h8-9,13H,2-6H2,1H3
InChIKeyQTXIVMNFXBKQBK-UHFFFAOYSA-N
XLogP-0.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.68
LogP ≤ 5-0.44
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

1-(dicyclohexylamino)propan-2-one
CID 43219211
3-[cyclohexyl(2-oxopropyl)amino]propanoic acid
CID 82329101
1-[cyclohexyl(hydroxy)amino]propan-2-one
CID 123340068
1-(cyclobutylamino)propan-2-one
CID 21335373
CID 174135769
CID 174135769
N-[(3S)-3-methylcyclohexyl]acetamide
CID 143244343
N-[(1R,3S)-3-hydroxycyclohexyl]acetamide
CID 121286290
N-[(1R,3R)-3-hydroxycyclohexyl]acetamide
CID 130005028
methyl 2-[acetyl(cyclopentyl)amino]acetate
CID 80709615
ethane;N-(3-methylcyclohexyl)acetamide
CID 156753874
N-cyclopentyl-N-ethylcarbamoyl chloride
CID 15335411
3-cyclobutyl-1-hydroxy-1-methylurea
CID 130900785

Frequently Asked Questions

What is the IUPAC name of CID 174135762?
The IUPAC name of CID 174135762 (CID 174135762) is not available.
What is the SMILES notation for CID 174135762?
The canonical SMILES for CID 174135762 is [B][B]NC1CCCC(N([B])CC(C)=O)C1.
What is the InChIKey of CID 174135762?
The InChIKey is QTXIVMNFXBKQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16B3N2O/c1-7(15)6-14(11)9-4-2-3-8(5-9)13-12-10/h8-9,13H,2-6H2,1H3.
What are the key properties of CID 174135762?
CID 174135762 has a molecular weight of 200.68 g/mol, XLogP of -0.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174135762 is sourced from PubChem (CID 174135762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).