CID 155725555

C10H21LrNO-2 — CID 155725555

IUPAC—
SMILESC[C-]1CCNOC1C(C)(C)C.[CH3-].[Lr]
InChIInChI=1S/C9H18NO.CH3.Lr/c1-7-5-6-10-11-8(7)9(2,3)4;;/h8,10H,5-6H2,1-4H3;1H3;/q2*-1;
InChIKeyBFAOIIBTCAFTQI-UHFFFAOYSA-N
MW433.28 g/mol
LogP2.37
Rot. Bonds

About CID 155725555

CID 155725555 (PubChem CID 155725555) has the molecular formula C10H21LrNO-2 and a molecular weight of 433.28 g/mol.

Molecular Properties

Compound NameCID 155725555
PubChem CID155725555
Molecular FormulaC10H21LrNO-2
Molecular Weight433.28 g/mol
Exact Mass433.27
IUPAC Name—
SMILESC[C-]1CCNOC1C(C)(C)C.[CH3-].[Lr]
InChIInChI=1S/C9H18NO.CH3.Lr/c1-7-5-6-10-11-8(7)9(2,3)4;;/h8,10H,5-6H2,1-4H3;1H3;/q2*-1;
InChIKeyBFAOIIBTCAFTQI-UHFFFAOYSA-N
XLogP2.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.28
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 155725555?
The IUPAC name of CID 155725555 (CID 155725555) is not available.
What is the SMILES notation for CID 155725555?
The canonical SMILES for CID 155725555 is C[C-]1CCNOC1C(C)(C)C.[CH3-].[Lr].
What is the InChIKey of CID 155725555?
The InChIKey is BFAOIIBTCAFTQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18NO.CH3.Lr/c1-7-5-6-10-11-8(7)9(2,3)4;;/h8,10H,5-6H2,1-4H3;1H3;/q2*-1;.
What are the key properties of CID 155725555?
CID 155725555 has a molecular weight of 433.28 g/mol, XLogP of 2.37, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 155725555 is sourced from PubChem (CID 155725555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).