CID 58544189

C5H8N — CID 58544189

IUPAC—
SMILESC#CCN([CH2])C
InChIInChI=1S/C5H8N/c1-4-5-6(2)3/h1H,2,5H2,3H3
InChIKeyFSKKIDJLZDMGNM-UHFFFAOYSA-N
MW82.13 g/mol
LogP0.34
Rot. Bonds1

About CID 58544189

CID 58544189 (PubChem CID 58544189) has the molecular formula C5H8N and a molecular weight of 82.13 g/mol.

Molecular Properties

Compound NameCID 58544189
PubChem CID58544189
Molecular FormulaC5H8N
Molecular Weight82.13 g/mol
Exact Mass82.07
IUPAC Name—
SMILESC#CCN([CH2])C
InChIInChI=1S/C5H8N/c1-4-5-6(2)3/h1H,2,5H2,3H3
InChIKeyFSKKIDJLZDMGNM-UHFFFAOYSA-N
XLogP0.34
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50082.13
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 58544189?
The IUPAC name of CID 58544189 (CID 58544189) is not available.
What is the SMILES notation for CID 58544189?
The canonical SMILES for CID 58544189 is C#CCN([CH2])C.
What is the InChIKey of CID 58544189?
The InChIKey is FSKKIDJLZDMGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N/c1-4-5-6(2)3/h1H,2,5H2,3H3.
What are the key properties of CID 58544189?
CID 58544189 has a molecular weight of 82.13 g/mol, XLogP of 0.34, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58544189 is sourced from PubChem (CID 58544189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).