CID 58273327

C4H9N2 — CID 58273327

IUPAC—
SMILESC[C](C)C(=N)N
InChIInChI=1S/C4H9N2/c1-3(2)4(5)6/h1-2H3,(H3,5,6)
InChIKeyMNZCNIVQMPKDIM-UHFFFAOYSA-N
MW85.13 g/mol
LogP0.30
Rot. Bonds1

About CID 58273327

CID 58273327 (PubChem CID 58273327) has the molecular formula C4H9N2 and a molecular weight of 85.13 g/mol.

Molecular Properties

Compound NameCID 58273327
PubChem CID58273327
Molecular FormulaC4H9N2
Molecular Weight85.13 g/mol
Exact Mass85.08
IUPAC Name—
SMILESC[C](C)C(=N)N
InChIInChI=1S/C4H9N2/c1-3(2)4(5)6/h1-2H3,(H3,5,6)
InChIKeyMNZCNIVQMPKDIM-UHFFFAOYSA-N
XLogP0.30
TPSA49.90 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity56

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50085.13
LogP ≤ 50.30
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'}

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Frequently Asked Questions

What is the IUPAC name of CID 58273327?
The IUPAC name of CID 58273327 (CID 58273327) is not available.
What is the SMILES notation for CID 58273327?
The canonical SMILES for CID 58273327 is C[C](C)C(=N)N.
What is the InChIKey of CID 58273327?
The InChIKey is MNZCNIVQMPKDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N2/c1-3(2)4(5)6/h1-2H3,(H3,5,6).
What are the key properties of CID 58273327?
CID 58273327 has a molecular weight of 85.13 g/mol, XLogP of 0.30, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58273327 is sourced from PubChem (CID 58273327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).