CID 57467138

C5H8N — CID 57467138

IUPAC—
SMILES[CH]1C=CCNC1
InChIInChI=1S/C5H8N/c1-2-4-6-5-3-1/h1-3,6H,4-5H2
InChIKeyNXUWQMVHXVGLQP-UHFFFAOYSA-N
MW82.13 g/mol
LogP0.35
Rot. Bonds

About CID 57467138

CID 57467138 (PubChem CID 57467138) has the molecular formula C5H8N and a molecular weight of 82.13 g/mol.

Molecular Properties

Compound NameCID 57467138
PubChem CID57467138
Molecular FormulaC5H8N
Molecular Weight82.13 g/mol
Exact Mass82.07
IUPAC Name—
SMILES[CH]1C=CCNC1
InChIInChI=1S/C5H8N/c1-2-4-6-5-3-1/h1-3,6H,4-5H2
InChIKeyNXUWQMVHXVGLQP-UHFFFAOYSA-N
XLogP0.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50082.13
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 57467138?
The IUPAC name of CID 57467138 (CID 57467138) is not available.
What is the SMILES notation for CID 57467138?
The canonical SMILES for CID 57467138 is [CH]1C=CCNC1.
What is the InChIKey of CID 57467138?
The InChIKey is NXUWQMVHXVGLQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N/c1-2-4-6-5-3-1/h1-3,6H,4-5H2.
What are the key properties of CID 57467138?
CID 57467138 has a molecular weight of 82.13 g/mol, XLogP of 0.35, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 57467138 is sourced from PubChem (CID 57467138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).