CID 143964193

C7H15N2O2Rb — CID 143964193

IUPAC—
SMILESCC1CCCN(C=O)C1.N[O-].[Rb+]
InChIInChI=1S/C7H13NO.H2NO.Rb/c1-7-3-2-4-8(5-7)6-9;1-2;/h6-7H,2-5H2,1H3;1H2;/q;-1;+1
InChIKeyVOKILINWHIWSHA-UHFFFAOYSA-N
MW244.68 g/mol
LogP-2.68
Rot. Bonds1

About CID 143964193

CID 143964193 (PubChem CID 143964193) has the molecular formula C7H15N2O2Rb and a molecular weight of 244.68 g/mol.

Molecular Properties

Compound NameCID 143964193
PubChem CID143964193
Molecular FormulaC7H15N2O2Rb
Molecular Weight244.68 g/mol
Exact Mass244.03
IUPAC Name—
SMILESCC1CCCN(C=O)C1.N[O-].[Rb+]
InChIInChI=1S/C7H13NO.H2NO.Rb/c1-7-3-2-4-8(5-7)6-9;1-2;/h6-7H,2-5H2,1H3;1H2;/q;-1;+1
InChIKeyVOKILINWHIWSHA-UHFFFAOYSA-N
XLogP-2.68
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.68
LogP ≤ 5-2.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 143964193?
The IUPAC name of CID 143964193 (CID 143964193) is not available.
What is the SMILES notation for CID 143964193?
The canonical SMILES for CID 143964193 is CC1CCCN(C=O)C1.N[O-].[Rb+].
What is the InChIKey of CID 143964193?
The InChIKey is VOKILINWHIWSHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO.H2NO.Rb/c1-7-3-2-4-8(5-7)6-9;1-2;/h6-7H,2-5H2,1H3;1H2;/q;-1;+1.
What are the key properties of CID 143964193?
CID 143964193 has a molecular weight of 244.68 g/mol, XLogP of -2.68, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 143964193 is sourced from PubChem (CID 143964193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).