cyclopenta-1,3,4-trien-1-amine

C5H5N — CID 176533256

IUPACcyclopenta-1,3,4-trien-1-amine
SMILESNC1=CC=C=C1
InChIInChI=1S/C5H5N/c6-5-3-1-2-4-5/h1,3-4H,6H2
InChIKeyMIQSVQMZQWUCCS-UHFFFAOYSA-N
MW79.10 g/mol
LogP0.55
Rot. Bonds

About cyclopenta-1,3,4-trien-1-amine

cyclopenta-1,3,4-trien-1-amine (PubChem CID 176533256) has the molecular formula C5H5N and a molecular weight of 79.10 g/mol. Its IUPAC name is cyclopenta-1,3,4-trien-1-amine.

Molecular Properties

Compound Namecyclopenta-1,3,4-trien-1-amine
PubChem CID176533256
Molecular FormulaC5H5N
Molecular Weight79.10 g/mol
Exact Mass79.04
IUPAC Namecyclopenta-1,3,4-trien-1-amine
SMILESNC1=CC=C=C1
InChIInChI=1S/C5H5N/c6-5-3-1-2-4-5/h1,3-4H,6H2
InChIKeyMIQSVQMZQWUCCS-UHFFFAOYSA-N
XLogP0.55
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50079.10
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3,4-trien-1-amine?
The IUPAC name of cyclopenta-1,3,4-trien-1-amine (CID 176533256) is cyclopenta-1,3,4-trien-1-amine.
What is the SMILES notation for cyclopenta-1,3,4-trien-1-amine?
The canonical SMILES for cyclopenta-1,3,4-trien-1-amine is NC1=CC=C=C1.
What is the InChIKey of cyclopenta-1,3,4-trien-1-amine?
The InChIKey is MIQSVQMZQWUCCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N/c6-5-3-1-2-4-5/h1,3-4H,6H2.
What are the key properties of cyclopenta-1,3,4-trien-1-amine?
cyclopenta-1,3,4-trien-1-amine has a molecular weight of 79.10 g/mol, XLogP of 0.55, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3,4-trien-1-amine is sourced from PubChem (CID 176533256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).