CID 59732107

C6H11NO2 — CID 59732107

IUPAC—
SMILES[CH]N[C@H]1CCOC1OC
InChIInChI=1S/C6H11NO2/c1-7-5-3-4-9-6(5)8-2/h1,5-7H,3-4H2,2H3/t5-,6?/m0/s1
InChIKeyDSJLFDNPXXWAHM-ZBHICJROSA-N
MW129.16 g/mol
LogP0.01
Rot. Bonds2

About CID 59732107

CID 59732107 (PubChem CID 59732107) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol.

Molecular Properties

Compound NameCID 59732107
PubChem CID59732107
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name—
SMILES[CH]N[C@H]1CCOC1OC
InChIInChI=1S/C6H11NO2/c1-7-5-3-4-9-6(5)8-2/h1,5-7H,3-4H2,2H3/t5-,6?/m0/s1
InChIKeyDSJLFDNPXXWAHM-ZBHICJROSA-N
XLogP0.01
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 59732107?
The IUPAC name of CID 59732107 (CID 59732107) is not available.
What is the SMILES notation for CID 59732107?
The canonical SMILES for CID 59732107 is [CH]N[C@H]1CCOC1OC.
What is the InChIKey of CID 59732107?
The InChIKey is DSJLFDNPXXWAHM-ZBHICJROSA-N. The full InChI is InChI=1S/C6H11NO2/c1-7-5-3-4-9-6(5)8-2/h1,5-7H,3-4H2,2H3/t5-,6?/m0/s1.
What are the key properties of CID 59732107?
CID 59732107 has a molecular weight of 129.16 g/mol, XLogP of 0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59732107 is sourced from PubChem (CID 59732107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).