1-prop-2-enyl-2,5-dihydropyrrole

C7H11N — CID 67908753

IUPAC1-prop-2-enyl-2,5-dihydropyrrole
SMILESC=CCN1CC=CC1
InChIInChI=1S/C7H11N/c1-2-5-8-6-3-4-7-8/h2-4H,1,5-7H2
InChIKeyUBVCSYZCIOGYJE-UHFFFAOYSA-N
MW109.17 g/mol
LogP1.04
Rot. Bonds2

About 1-prop-2-enyl-2,5-dihydropyrrole

1-prop-2-enyl-2,5-dihydropyrrole (PubChem CID 67908753) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is 1-prop-2-enyl-2,5-dihydropyrrole.

Molecular Properties

Compound Name1-prop-2-enyl-2,5-dihydropyrrole
PubChem CID67908753
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Name1-prop-2-enyl-2,5-dihydropyrrole
SMILESC=CCN1CC=CC1
InChIInChI=1S/C7H11N/c1-2-5-8-6-3-4-7-8/h2-4H,1,5-7H2
InChIKeyUBVCSYZCIOGYJE-UHFFFAOYSA-N
XLogP1.04
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1-prop-2-enyl-2,5-dihydropyrrole?
The IUPAC name of 1-prop-2-enyl-2,5-dihydropyrrole (CID 67908753) is 1-prop-2-enyl-2,5-dihydropyrrole.
What is the SMILES notation for 1-prop-2-enyl-2,5-dihydropyrrole?
The canonical SMILES for 1-prop-2-enyl-2,5-dihydropyrrole is C=CCN1CC=CC1.
What is the InChIKey of 1-prop-2-enyl-2,5-dihydropyrrole?
The InChIKey is UBVCSYZCIOGYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N/c1-2-5-8-6-3-4-7-8/h2-4H,1,5-7H2.
What are the key properties of 1-prop-2-enyl-2,5-dihydropyrrole?
1-prop-2-enyl-2,5-dihydropyrrole has a molecular weight of 109.17 g/mol, XLogP of 1.04, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enyl-2,5-dihydropyrrole is sourced from PubChem (CID 67908753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).