acetylene;1H-pyrrole

C6H7N — CID 22564394

IUPACacetylene;1H-pyrrole
SMILESC#C.c1cc[nH]c1
InChIInChI=1S/C4H5N.C2H2/c1-2-4-5-3-1;1-2/h1-5H;1-2H
InChIKeyDKTSDEMVIWNEMQ-UHFFFAOYSA-N
MW93.13 g/mol
LogP1.26
Rot. Bonds

About acetylene;1H-pyrrole

acetylene;1H-pyrrole (PubChem CID 22564394) has the molecular formula C6H7N and a molecular weight of 93.13 g/mol. Its IUPAC name is acetylene;1H-pyrrole.

Molecular Properties

Compound Nameacetylene;1H-pyrrole
PubChem CID22564394
Molecular FormulaC6H7N
Molecular Weight93.13 g/mol
Exact Mass93.06
IUPAC Nameacetylene;1H-pyrrole
SMILESC#C.c1cc[nH]c1
InChIInChI=1S/C4H5N.C2H2/c1-2-4-5-3-1;1-2/h1-5H;1-2H
InChIKeyDKTSDEMVIWNEMQ-UHFFFAOYSA-N
XLogP1.26
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50093.13
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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 acetylene;1H-pyrrole?
The IUPAC name of acetylene;1H-pyrrole (CID 22564394) is acetylene;1H-pyrrole.
What is the SMILES notation for acetylene;1H-pyrrole?
The canonical SMILES for acetylene;1H-pyrrole is C#C.c1cc[nH]c1.
What is the InChIKey of acetylene;1H-pyrrole?
The InChIKey is DKTSDEMVIWNEMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N.C2H2/c1-2-4-5-3-1;1-2/h1-5H;1-2H.
What are the key properties of acetylene;1H-pyrrole?
acetylene;1H-pyrrole has a molecular weight of 93.13 g/mol, XLogP of 1.26, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;1H-pyrrole is sourced from PubChem (CID 22564394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).