CID 102378205

C4H10N2O2+ — CID 102378205

IUPAC—
SMILESCC(C)(O[O])C(N)=[NH2+]
InChIInChI=1S/C4H9N2O2/c1-4(2,8-7)3(5)6/h1-2H3,(H3,5,6)/p+1
InChIKeyDRTOMJJTNRPARA-UHFFFAOYSA-O
MW118.14 g/mol
LogP-1.76
Rot. Bonds2

About CID 102378205

CID 102378205 (PubChem CID 102378205) has the molecular formula C4H10N2O2+ and a molecular weight of 118.14 g/mol.

Molecular Properties

Compound NameCID 102378205
PubChem CID102378205
Molecular FormulaC4H10N2O2+
Molecular Weight118.14 g/mol
Exact Mass118.07
IUPAC Name—
SMILESCC(C)(O[O])C(N)=[NH2+]
InChIInChI=1S/C4H9N2O2/c1-4(2,8-7)3(5)6/h1-2H3,(H3,5,6)/p+1
InChIKeyDRTOMJJTNRPARA-UHFFFAOYSA-O
XLogP-1.76
TPSA80.74 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.14
LogP ≤ 5-1.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 102378205?
The IUPAC name of CID 102378205 (CID 102378205) is not available.
What is the SMILES notation for CID 102378205?
The canonical SMILES for CID 102378205 is CC(C)(O[O])C(N)=[NH2+].
What is the InChIKey of CID 102378205?
The InChIKey is DRTOMJJTNRPARA-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H9N2O2/c1-4(2,8-7)3(5)6/h1-2H3,(H3,5,6)/p+1.
What are the key properties of CID 102378205?
CID 102378205 has a molecular weight of 118.14 g/mol, XLogP of -1.76, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 102378205 is sourced from PubChem (CID 102378205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).