4-ethyl-2-prop-2-enyl-1H-pyrrole

C9H13N — CID 174773223

IUPAC4-ethyl-2-prop-2-enyl-1H-pyrrole
SMILESC=CCc1cc(CC)c[nH]1
InChIInChI=1S/C9H13N/c1-3-5-9-6-8(4-2)7-10-9/h3,6-7,10H,1,4-5H2,2H3
InChIKeyJBXQFDAVKWBPED-UHFFFAOYSA-N
MW135.21 g/mol
LogP2.31
Rot. Bonds3

About 4-ethyl-2-prop-2-enyl-1H-pyrrole

4-ethyl-2-prop-2-enyl-1H-pyrrole (PubChem CID 174773223) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is 4-ethyl-2-prop-2-enyl-1H-pyrrole.

Molecular Properties

Compound Name4-ethyl-2-prop-2-enyl-1H-pyrrole
PubChem CID174773223
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name4-ethyl-2-prop-2-enyl-1H-pyrrole
SMILESC=CCc1cc(CC)c[nH]1
InChIInChI=1S/C9H13N/c1-3-5-9-6-8(4-2)7-10-9/h3,6-7,10H,1,4-5H2,2H3
InChIKeyJBXQFDAVKWBPED-UHFFFAOYSA-N
XLogP2.31
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-prop-2-enyl-1H-pyrrole?
The IUPAC name of 4-ethyl-2-prop-2-enyl-1H-pyrrole (CID 174773223) is 4-ethyl-2-prop-2-enyl-1H-pyrrole.
What is the SMILES notation for 4-ethyl-2-prop-2-enyl-1H-pyrrole?
The canonical SMILES for 4-ethyl-2-prop-2-enyl-1H-pyrrole is C=CCc1cc(CC)c[nH]1.
What is the InChIKey of 4-ethyl-2-prop-2-enyl-1H-pyrrole?
The InChIKey is JBXQFDAVKWBPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N/c1-3-5-9-6-8(4-2)7-10-9/h3,6-7,10H,1,4-5H2,2H3.
What are the key properties of 4-ethyl-2-prop-2-enyl-1H-pyrrole?
4-ethyl-2-prop-2-enyl-1H-pyrrole has a molecular weight of 135.21 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-prop-2-enyl-1H-pyrrole is sourced from PubChem (CID 174773223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).