CID 166075419

C10H19LrN2O- — CID 166075419

IUPAC—
SMILESC[C-]1CC(C)(C)CC(C)NC(=O)N1.[Lr]
InChIInChI=1S/C10H19N2O.Lr/c1-7-5-10(3,4)6-8(2)12-9(13)11-7;/h7H,5-6H2,1-4H3,(H2,11,12,13);/q-1;
InChIKeyRVJATHLDZQYOJF-UHFFFAOYSA-N
MW445.28 g/mol
LogP2.05
Rot. Bonds

About CID 166075419

CID 166075419 (PubChem CID 166075419) has the molecular formula C10H19LrN2O- and a molecular weight of 445.28 g/mol.

Molecular Properties

Compound NameCID 166075419
PubChem CID166075419
Molecular FormulaC10H19LrN2O-
Molecular Weight445.28 g/mol
Exact Mass445.26
IUPAC Name—
SMILESC[C-]1CC(C)(C)CC(C)NC(=O)N1.[Lr]
InChIInChI=1S/C10H19N2O.Lr/c1-7-5-10(3,4)6-8(2)12-9(13)11-7;/h7H,5-6H2,1-4H3,(H2,11,12,13);/q-1;
InChIKeyRVJATHLDZQYOJF-UHFFFAOYSA-N
XLogP2.05
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.28
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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 166075419?
The IUPAC name of CID 166075419 (CID 166075419) is not available.
What is the SMILES notation for CID 166075419?
The canonical SMILES for CID 166075419 is C[C-]1CC(C)(C)CC(C)NC(=O)N1.[Lr].
What is the InChIKey of CID 166075419?
The InChIKey is RVJATHLDZQYOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N2O.Lr/c1-7-5-10(3,4)6-8(2)12-9(13)11-7;/h7H,5-6H2,1-4H3,(H2,11,12,13);/q-1;.
What are the key properties of CID 166075419?
CID 166075419 has a molecular weight of 445.28 g/mol, XLogP of 2.05, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 166075419 is sourced from PubChem (CID 166075419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).