CID 139244195

C5H9N — CID 139244195

IUPAC—
SMILESC=C(C)[C]NC
InChIInChI=1S/C5H9N/c1-5(2)4-6-3/h6H,1H2,2-3H3
InChIKeyGZUKJGYVNIDGHG-UHFFFAOYSA-N
MW83.13 g/mol
LogP0.82
Rot. Bonds2

About CID 139244195

CID 139244195 (PubChem CID 139244195) has the molecular formula C5H9N and a molecular weight of 83.13 g/mol.

Molecular Properties

Compound NameCID 139244195
PubChem CID139244195
Molecular FormulaC5H9N
Molecular Weight83.13 g/mol
Exact Mass83.07
IUPAC Name—
SMILESC=C(C)[C]NC
InChIInChI=1S/C5H9N/c1-5(2)4-6-3/h6H,1H2,2-3H3
InChIKeyGZUKJGYVNIDGHG-UHFFFAOYSA-N
XLogP0.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50083.13
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 139244195?
The IUPAC name of CID 139244195 (CID 139244195) is not available.
What is the SMILES notation for CID 139244195?
The canonical SMILES for CID 139244195 is C=C(C)[C]NC.
What is the InChIKey of CID 139244195?
The InChIKey is GZUKJGYVNIDGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N/c1-5(2)4-6-3/h6H,1H2,2-3H3.
What are the key properties of CID 139244195?
CID 139244195 has a molecular weight of 83.13 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 139244195 is sourced from PubChem (CID 139244195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).