CID 59967311

C9H17N2O3 — CID 59967311

IUPAC—
SMILESCC1(C)CC(=O)N(O)CC(C)(C)N1[O]
InChIInChI=1S/C9H17N2O3/c1-8(2)5-7(12)10(13)6-9(3,4)11(8)14/h13H,5-6H2,1-4H3
InChIKeyDWNBATZQSNMKOU-UHFFFAOYSA-N
MW201.25 g/mol
LogP0.81
Rot. Bonds

About CID 59967311

CID 59967311 (PubChem CID 59967311) has the molecular formula C9H17N2O3 and a molecular weight of 201.25 g/mol.

Molecular Properties

Compound NameCID 59967311
PubChem CID59967311
Molecular FormulaC9H17N2O3
Molecular Weight201.25 g/mol
Exact Mass201.12
IUPAC Name—
SMILESCC1(C)CC(=O)N(O)CC(C)(C)N1[O]
InChIInChI=1S/C9H17N2O3/c1-8(2)5-7(12)10(13)6-9(3,4)11(8)14/h13H,5-6H2,1-4H3
InChIKeyDWNBATZQSNMKOU-UHFFFAOYSA-N
XLogP0.81
TPSA63.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 59967311?
The IUPAC name of CID 59967311 (CID 59967311) is not available.
What is the SMILES notation for CID 59967311?
The canonical SMILES for CID 59967311 is CC1(C)CC(=O)N(O)CC(C)(C)N1[O].
What is the InChIKey of CID 59967311?
The InChIKey is DWNBATZQSNMKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N2O3/c1-8(2)5-7(12)10(13)6-9(3,4)11(8)14/h13H,5-6H2,1-4H3.
What are the key properties of CID 59967311?
CID 59967311 has a molecular weight of 201.25 g/mol, XLogP of 0.81, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59967311 is sourced from PubChem (CID 59967311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).