CID 58998222

C10H16N2O2 — CID 58998222

IUPAC—
SMILES[CH]NC(=O)/C=C/CCN1CCOCC1
InChIInChI=1S/C10H16N2O2/c1-11-10(13)4-2-3-5-12-6-8-14-9-7-12/h1-2,4H,3,5-9H2,(H,11,13)/b4-2+
InChIKeyBWHTXJCRBXVGIB-DUXPYHPUSA-N
MW196.25 g/mol
LogP0.05
Rot. Bonds4

About CID 58998222

CID 58998222 (PubChem CID 58998222) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol.

Molecular Properties

Compound NameCID 58998222
PubChem CID58998222
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name—
SMILES[CH]NC(=O)/C=C/CCN1CCOCC1
InChIInChI=1S/C10H16N2O2/c1-11-10(13)4-2-3-5-12-6-8-14-9-7-12/h1-2,4H,3,5-9H2,(H,11,13)/b4-2+
InChIKeyBWHTXJCRBXVGIB-DUXPYHPUSA-N
XLogP0.05
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 58998222?
The IUPAC name of CID 58998222 (CID 58998222) is not available.
What is the SMILES notation for CID 58998222?
The canonical SMILES for CID 58998222 is [CH]NC(=O)/C=C/CCN1CCOCC1.
What is the InChIKey of CID 58998222?
The InChIKey is BWHTXJCRBXVGIB-DUXPYHPUSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-11-10(13)4-2-3-5-12-6-8-14-9-7-12/h1-2,4H,3,5-9H2,(H,11,13)/b4-2+.
What are the key properties of CID 58998222?
CID 58998222 has a molecular weight of 196.25 g/mol, XLogP of 0.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58998222 is sourced from PubChem (CID 58998222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).