CID 89404179

C10H16BNO2 — CID 89404179

IUPAC—
SMILES[B]CC(=O)C1CCC(C(=O)NC)CC1
InChIInChI=1S/C10H16BNO2/c1-12-10(14)8-4-2-7(3-5-8)9(13)6-11/h7-8H,2-6H2,1H3,(H,12,14)
InChIKeyXOKVZUXCHXTOBA-UHFFFAOYSA-N
MW193.05 g/mol
LogP0.69
Rot. Bonds3

About CID 89404179

CID 89404179 (PubChem CID 89404179) has the molecular formula C10H16BNO2 and a molecular weight of 193.05 g/mol.

Molecular Properties

Compound NameCID 89404179
PubChem CID89404179
Molecular FormulaC10H16BNO2
Molecular Weight193.05 g/mol
Exact Mass193.13
IUPAC Name—
SMILES[B]CC(=O)C1CCC(C(=O)NC)CC1
InChIInChI=1S/C10H16BNO2/c1-12-10(14)8-4-2-7(3-5-8)9(13)6-11/h7-8H,2-6H2,1H3,(H,12,14)
InChIKeyXOKVZUXCHXTOBA-UHFFFAOYSA-N
XLogP0.69
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.05
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-4-propanoylcyclohexane-1-carboxamide
CID 170174898
4-N-methylcyclohexane-1,4-dicarboxamide
CID 131039944
N,4-dimethylcyclohexane-1-carboxamide;ethane;methanamine
CID 145422265
N-methyl-4-[2-(methylamino)-2-oxoethyl]cyclohexane-1-carboxamide
CID 155198720
1-(cyclopropanecarbonyl)-N-methylpiperidine-4-carboxamide
CID 60637060
N-methylspiro[2.5]octane-6-carboxamide
CID 59578553
N,1-dimethylpiperidine-4-carboxamide;ethane
CID 156719814
N-methyl-1-sulfanylpiperidine-4-carboxamide
CID 88912319
1-(2-aminopropyl)-N-methylpiperidine-4-carboxamide
CID 102688944
1-(2-hydroxyethyl)-N-methylpiperidine-4-carboxamide
CID 130917589
N-[2-(methylcarbamoylamino)ethyl]cyclopropanecarboxamide
CID 115575200
3,3-difluoro-N-methylcyclopentane-1-carboxamide
CID 118333876

Frequently Asked Questions

What is the IUPAC name of CID 89404179?
The IUPAC name of CID 89404179 (CID 89404179) is not available.
What is the SMILES notation for CID 89404179?
The canonical SMILES for CID 89404179 is [B]CC(=O)C1CCC(C(=O)NC)CC1.
What is the InChIKey of CID 89404179?
The InChIKey is XOKVZUXCHXTOBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BNO2/c1-12-10(14)8-4-2-7(3-5-8)9(13)6-11/h7-8H,2-6H2,1H3,(H,12,14).
What are the key properties of CID 89404179?
CID 89404179 has a molecular weight of 193.05 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89404179 is sourced from PubChem (CID 89404179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).