CID 131843867

C9H15N2O3 — CID 131843867

IUPAC—
SMILESCC1(C)C=C(C(=O)NO)C(C)(C)N1[O]
InChIInChI=1S/C9H15N2O3/c1-8(2)5-6(7(12)10-13)9(3,4)11(8)14/h5,13H,1-4H3,(H,10,12)
InChIKeyTWUIGUGNUYFORD-UHFFFAOYSA-N
MW199.23 g/mol
LogP0.64
Rot. Bonds1

About CID 131843867

CID 131843867 (PubChem CID 131843867) has the molecular formula C9H15N2O3 and a molecular weight of 199.23 g/mol.

Molecular Properties

Compound NameCID 131843867
PubChem CID131843867
Molecular FormulaC9H15N2O3
Molecular Weight199.23 g/mol
Exact Mass199.11
IUPAC Name—
SMILESCC1(C)C=C(C(=O)NO)C(C)(C)N1[O]
InChIInChI=1S/C9H15N2O3/c1-8(2)5-6(7(12)10-13)9(3,4)11(8)14/h5,13H,1-4H3,(H,10,12)
InChIKeyTWUIGUGNUYFORD-UHFFFAOYSA-N
XLogP0.64
TPSA72.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.23
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 131843867?
The IUPAC name of CID 131843867 (CID 131843867) is not available.
What is the SMILES notation for CID 131843867?
The canonical SMILES for CID 131843867 is CC1(C)C=C(C(=O)NO)C(C)(C)N1[O].
What is the InChIKey of CID 131843867?
The InChIKey is TWUIGUGNUYFORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N2O3/c1-8(2)5-6(7(12)10-13)9(3,4)11(8)14/h5,13H,1-4H3,(H,10,12).
What are the key properties of CID 131843867?
CID 131843867 has a molecular weight of 199.23 g/mol, XLogP of 0.64, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 131843867 is sourced from PubChem (CID 131843867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).