CID 171821243

C7H15BNO- — CID 171821243

IUPAC—
SMILESCCC[B-]N1CCOCC1
InChIInChI=1S/C7H15BNO/c1-2-3-8-9-4-6-10-7-5-9/h2-7H2,1H3/q-1
InChIKeyXDTLABZNMQCFMA-UHFFFAOYSA-N
MW140.02 g/mol
LogP0.77
Rot. Bonds3

About CID 171821243

CID 171821243 (PubChem CID 171821243) has the molecular formula C7H15BNO- and a molecular weight of 140.02 g/mol.

Molecular Properties

Compound NameCID 171821243
PubChem CID171821243
Molecular FormulaC7H15BNO-
Molecular Weight140.02 g/mol
Exact Mass140.13
IUPAC Name—
SMILESCCC[B-]N1CCOCC1
InChIInChI=1S/C7H15BNO/c1-2-3-8-9-4-6-10-7-5-9/h2-7H2,1H3/q-1
InChIKeyXDTLABZNMQCFMA-UHFFFAOYSA-N
XLogP0.77
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.02
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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ethane;4-propylmorpholine
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4-ethylmorpholine;hydron
CID 174383624
4-hydroxymorpholine;propane
CID 23208796
astatane;4-ethylmorpholine
CID 174883073
butane;4-butylmorpholine
CID 177152600
butane;methane;4-propan-2-ylmorpholine;yttrium
CID 158385716
butane;4-(2-methylpropyl)morpholine
CID 155751822
4-hexylmorpholine
CID 3614751
4-pentan-3-ylmorpholine
CID 641553

Frequently Asked Questions

What is the IUPAC name of CID 171821243?
The IUPAC name of CID 171821243 (CID 171821243) is not available.
What is the SMILES notation for CID 171821243?
The canonical SMILES for CID 171821243 is CCC[B-]N1CCOCC1.
What is the InChIKey of CID 171821243?
The InChIKey is XDTLABZNMQCFMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15BNO/c1-2-3-8-9-4-6-10-7-5-9/h2-7H2,1H3/q-1.
What are the key properties of CID 171821243?
CID 171821243 has a molecular weight of 140.02 g/mol, XLogP of 0.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 171821243 is sourced from PubChem (CID 171821243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).