4-prop-1-enyl-3H-pyrrole

C7H9N — CID 58091270

IUPAC4-prop-1-enyl-3H-pyrrole
SMILESCC=CC1=CN=CC1
InChIInChI=1S/C7H9N/c1-2-3-7-4-5-8-6-7/h2-3,5-6H,4H2,1H3
InChIKeyHLBLPPWTMZRKIE-UHFFFAOYSA-N
MW107.16 g/mol
LogP1.92
Rot. Bonds1

About 4-prop-1-enyl-3H-pyrrole

4-prop-1-enyl-3H-pyrrole (PubChem CID 58091270) has the molecular formula C7H9N and a molecular weight of 107.16 g/mol. Its IUPAC name is 4-prop-1-enyl-3H-pyrrole.

Molecular Properties

Compound Name4-prop-1-enyl-3H-pyrrole
PubChem CID58091270
Molecular FormulaC7H9N
Molecular Weight107.16 g/mol
Exact Mass107.07
IUPAC Name4-prop-1-enyl-3H-pyrrole
SMILESCC=CC1=CN=CC1
InChIInChI=1S/C7H9N/c1-2-3-7-4-5-8-6-7/h2-3,5-6H,4H2,1H3
InChIKeyHLBLPPWTMZRKIE-UHFFFAOYSA-N
XLogP1.92
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 ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-prop-1-enyl-3H-pyrrole?
The IUPAC name of 4-prop-1-enyl-3H-pyrrole (CID 58091270) is 4-prop-1-enyl-3H-pyrrole.
What is the SMILES notation for 4-prop-1-enyl-3H-pyrrole?
The canonical SMILES for 4-prop-1-enyl-3H-pyrrole is CC=CC1=CN=CC1.
What is the InChIKey of 4-prop-1-enyl-3H-pyrrole?
The InChIKey is HLBLPPWTMZRKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N/c1-2-3-7-4-5-8-6-7/h2-3,5-6H,4H2,1H3.
What are the key properties of 4-prop-1-enyl-3H-pyrrole?
4-prop-1-enyl-3H-pyrrole has a molecular weight of 107.16 g/mol, XLogP of 1.92, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-1-enyl-3H-pyrrole is sourced from PubChem (CID 58091270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).