CID 88566510

C10H16BNO3 — CID 88566510

IUPAC—
SMILES[B]C1CN(C(=O)OCCCC)CCC1=O
InChIInChI=1S/C10H16BNO3/c1-2-3-6-15-10(14)12-5-4-9(13)8(11)7-12/h8H,2-7H2,1H3
InChIKeyXDJLIXGARJTGTI-UHFFFAOYSA-N
MW209.05 g/mol
LogP1.15
Rot. Bonds3

About CID 88566510

CID 88566510 (PubChem CID 88566510) has the molecular formula C10H16BNO3 and a molecular weight of 209.05 g/mol.

Molecular Properties

Compound NameCID 88566510
PubChem CID88566510
Molecular FormulaC10H16BNO3
Molecular Weight209.05 g/mol
Exact Mass209.12
IUPAC Name—
SMILES[B]C1CN(C(=O)OCCCC)CCC1=O
InChIInChI=1S/C10H16BNO3/c1-2-3-6-15-10(14)12-5-4-9(13)8(11)7-12/h8H,2-7H2,1H3
InChIKeyXDJLIXGARJTGTI-UHFFFAOYSA-N
XLogP1.15
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.05
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

butyl aziridine-1-carboxylate
CID 12641
butyl 4-oxoazepane-1-carboxylate
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butyl 1-acetyl-4-oxopiperidine-3-carboxylate
CID 15529904
ethyl 3-ethoxy-4-oxopiperidine-1-carboxylate
CID 15096763
butyl 8-oxo-3-azabicyclo[3.2.1]octane-3-carboxylate
CID 150038372
butyl 3-aminoazetidine-1-carboxylate
CID 68600726
ethyl (3S)-3-methyl-4-oxopiperidine-1-carboxylate
CID 34180905
ethyl 3-(2-methoxyethoxy)-4-oxopiperidine-1-carboxylate
CID 45122540
butyl 3-(hydroxymethyl)azetidine-1-carboxylate
CID 69261484
butyl (3aR,7aS)-1-oxo-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,4-c]pyridine-5-carboxylate
CID 175753856
butyl 3-(methylamino)piperidine-1-carboxylate
CID 175723002
butyl (3S)-3-(hydroxymethyl)piperidine-1-carboxylate
CID 95473768

Frequently Asked Questions

What is the IUPAC name of CID 88566510?
The IUPAC name of CID 88566510 (CID 88566510) is not available.
What is the SMILES notation for CID 88566510?
The canonical SMILES for CID 88566510 is [B]C1CN(C(=O)OCCCC)CCC1=O.
What is the InChIKey of CID 88566510?
The InChIKey is XDJLIXGARJTGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BNO3/c1-2-3-6-15-10(14)12-5-4-9(13)8(11)7-12/h8H,2-7H2,1H3.
What are the key properties of CID 88566510?
CID 88566510 has a molecular weight of 209.05 g/mol, XLogP of 1.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88566510 is sourced from PubChem (CID 88566510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).