CID 59102641

C10H19BNO2 — CID 59102641

IUPAC—
SMILESCC(C)CC1(O)CCN([B]C=O)CC1
InChIInChI=1S/C10H19BNO2/c1-9(2)7-10(14)3-5-12(6-4-10)11-8-13/h8-9,14H,3-7H2,1-2H3
InChIKeyRNZIZIDOHJMOMY-UHFFFAOYSA-N
MW196.08 g/mol
LogP0.67
Rot. Bonds4

About CID 59102641

CID 59102641 (PubChem CID 59102641) has the molecular formula C10H19BNO2 and a molecular weight of 196.08 g/mol.

Molecular Properties

Compound NameCID 59102641
PubChem CID59102641
Molecular FormulaC10H19BNO2
Molecular Weight196.08 g/mol
Exact Mass196.15
IUPAC Name—
SMILESCC(C)CC1(O)CCN([B]C=O)CC1
InChIInChI=1S/C10H19BNO2/c1-9(2)7-10(14)3-5-12(6-4-10)11-8-13/h8-9,14H,3-7H2,1-2H3
InChIKeyRNZIZIDOHJMOMY-UHFFFAOYSA-N
XLogP0.67
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.08
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 59102641?
The IUPAC name of CID 59102641 (CID 59102641) is not available.
What is the SMILES notation for CID 59102641?
The canonical SMILES for CID 59102641 is CC(C)CC1(O)CCN([B]C=O)CC1.
What is the InChIKey of CID 59102641?
The InChIKey is RNZIZIDOHJMOMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19BNO2/c1-9(2)7-10(14)3-5-12(6-4-10)11-8-13/h8-9,14H,3-7H2,1-2H3.
What are the key properties of CID 59102641?
CID 59102641 has a molecular weight of 196.08 g/mol, XLogP of 0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59102641 is sourced from PubChem (CID 59102641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).