CID 58493127

C5H9N — CID 58493127

IUPAC—
SMILES[CH]C(=C)N(C)C
InChIInChI=1S/C5H9N/c1-5(2)6(3)4/h1H,2H2,3-4H3
InChIKeyVJJOGTKPZPRYPK-UHFFFAOYSA-N
MW83.13 g/mol
LogP0.77
Rot. Bonds1

About CID 58493127

CID 58493127 (PubChem CID 58493127) has the molecular formula C5H9N and a molecular weight of 83.13 g/mol.

Molecular Properties

Compound NameCID 58493127
PubChem CID58493127
Molecular FormulaC5H9N
Molecular Weight83.13 g/mol
Exact Mass83.07
IUPAC Name—
SMILES[CH]C(=C)N(C)C
InChIInChI=1S/C5H9N/c1-5(2)6(3)4/h1H,2H2,3-4H3
InChIKeyVJJOGTKPZPRYPK-UHFFFAOYSA-N
XLogP0.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50083.13
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 58493127?
The IUPAC name of CID 58493127 (CID 58493127) is not available.
What is the SMILES notation for CID 58493127?
The canonical SMILES for CID 58493127 is [CH]C(=C)N(C)C.
What is the InChIKey of CID 58493127?
The InChIKey is VJJOGTKPZPRYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N/c1-5(2)6(3)4/h1H,2H2,3-4H3.
What are the key properties of CID 58493127?
CID 58493127 has a molecular weight of 83.13 g/mol, XLogP of 0.77, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58493127 is sourced from PubChem (CID 58493127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).