CID 177328904

C7H15BNO — CID 177328904

IUPAC—
SMILESCC[B]C1CNC[C@H](C)O1
InChIInChI=1S/C7H15BNO/c1-3-8-7-5-9-4-6(2)10-7/h6-7,9H,3-5H2,1-2H3/t6-,7?/m0/s1
InChIKeyFSHJVCHPLQVCOS-PKPIPKONSA-N
MW140.01 g/mol
LogP0.46
Rot. Bonds2

About CID 177328904

CID 177328904 (PubChem CID 177328904) has the molecular formula C7H15BNO and a molecular weight of 140.01 g/mol.

Molecular Properties

Compound NameCID 177328904
PubChem CID177328904
Molecular FormulaC7H15BNO
Molecular Weight140.01 g/mol
Exact Mass140.12
IUPAC Name—
SMILESCC[B]C1CNC[C@H](C)O1
InChIInChI=1S/C7H15BNO/c1-3-8-7-5-9-4-6(2)10-7/h6-7,9H,3-5H2,1-2H3/t6-,7?/m0/s1
InChIKeyFSHJVCHPLQVCOS-PKPIPKONSA-N
XLogP0.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.01
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 177328904?
The IUPAC name of CID 177328904 (CID 177328904) is not available.
What is the SMILES notation for CID 177328904?
The canonical SMILES for CID 177328904 is CC[B]C1CNC[C@H](C)O1.
What is the InChIKey of CID 177328904?
The InChIKey is FSHJVCHPLQVCOS-PKPIPKONSA-N. The full InChI is InChI=1S/C7H15BNO/c1-3-8-7-5-9-4-6(2)10-7/h6-7,9H,3-5H2,1-2H3/t6-,7?/m0/s1.
What are the key properties of CID 177328904?
CID 177328904 has a molecular weight of 140.01 g/mol, XLogP of 0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 177328904 is sourced from PubChem (CID 177328904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).