CID 177433980

C5H10N2O2 — CID 177433980

IUPAC—
SMILESCOC1(OC)[CH]NN[CH]1
InChIInChI=1S/C5H10N2O2/c1-8-5(9-2)3-6-7-4-5/h3-4,6-7H,1-2H3
InChIKeyJKQMDPQJNURSRN-UHFFFAOYSA-N
MW130.15 g/mol
LogP-0.59
Rot. Bonds2

About CID 177433980

CID 177433980 (PubChem CID 177433980) has the molecular formula C5H10N2O2 and a molecular weight of 130.15 g/mol.

Molecular Properties

Compound NameCID 177433980
PubChem CID177433980
Molecular FormulaC5H10N2O2
Molecular Weight130.15 g/mol
Exact Mass130.07
IUPAC Name—
SMILESCOC1(OC)[CH]NN[CH]1
InChIInChI=1S/C5H10N2O2/c1-8-5(9-2)3-6-7-4-5/h3-4,6-7H,1-2H3
InChIKeyJKQMDPQJNURSRN-UHFFFAOYSA-N
XLogP-0.59
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.15
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 177433980?
The IUPAC name of CID 177433980 (CID 177433980) is not available.
What is the SMILES notation for CID 177433980?
The canonical SMILES for CID 177433980 is COC1(OC)[CH]NN[CH]1.
What is the InChIKey of CID 177433980?
The InChIKey is JKQMDPQJNURSRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O2/c1-8-5(9-2)3-6-7-4-5/h3-4,6-7H,1-2H3.
What are the key properties of CID 177433980?
CID 177433980 has a molecular weight of 130.15 g/mol, XLogP of -0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 177433980 is sourced from PubChem (CID 177433980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).