3-prop-1-enyl-2H-pyrrole

C7H9N — CID 58451432

IUPAC3-prop-1-enyl-2H-pyrrole
SMILESCC=CC1=CC=NC1
InChIInChI=1S/C7H9N/c1-2-3-7-4-5-8-6-7/h2-5H,6H2,1H3
InChIKeyVOMNMLRYZYRBDI-UHFFFAOYSA-N
MW107.16 g/mol
LogP1.57
Rot. Bonds1

About 3-prop-1-enyl-2H-pyrrole

3-prop-1-enyl-2H-pyrrole (PubChem CID 58451432) has the molecular formula C7H9N and a molecular weight of 107.16 g/mol. Its IUPAC name is 3-prop-1-enyl-2H-pyrrole.

Molecular Properties

Compound Name3-prop-1-enyl-2H-pyrrole
PubChem CID58451432
Molecular FormulaC7H9N
Molecular Weight107.16 g/mol
Exact Mass107.07
IUPAC Name3-prop-1-enyl-2H-pyrrole
SMILESCC=CC1=CC=NC1
InChIInChI=1S/C7H9N/c1-2-3-7-4-5-8-6-7/h2-5H,6H2,1H3
InChIKeyVOMNMLRYZYRBDI-UHFFFAOYSA-N
XLogP1.57
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.16
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-prop-1-enyl-2H-pyrrole?
The IUPAC name of 3-prop-1-enyl-2H-pyrrole (CID 58451432) is 3-prop-1-enyl-2H-pyrrole.
What is the SMILES notation for 3-prop-1-enyl-2H-pyrrole?
The canonical SMILES for 3-prop-1-enyl-2H-pyrrole is CC=CC1=CC=NC1.
What is the InChIKey of 3-prop-1-enyl-2H-pyrrole?
The InChIKey is VOMNMLRYZYRBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N/c1-2-3-7-4-5-8-6-7/h2-5H,6H2,1H3.
What are the key properties of 3-prop-1-enyl-2H-pyrrole?
3-prop-1-enyl-2H-pyrrole has a molecular weight of 107.16 g/mol, XLogP of 1.57, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-1-enyl-2H-pyrrole is sourced from PubChem (CID 58451432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).