3-prop-1-en-2-yl-1H-pyrrole

C7H9N — CID 10898669

IUPAC3-prop-1-en-2-yl-1H-pyrrole
SMILESC=C(C)c1cc[nH]c1
InChIInChI=1S/C7H9N/c1-6(2)7-3-4-8-5-7/h3-5,8H,1H2,2H3
InChIKeyUJWCLLOFLKMTQY-UHFFFAOYSA-N
MW107.16 g/mol
LogP2.05
Rot. Bonds1

About 3-prop-1-en-2-yl-1H-pyrrole

3-prop-1-en-2-yl-1H-pyrrole (PubChem CID 10898669) has the molecular formula C7H9N and a molecular weight of 107.16 g/mol. Its IUPAC name is 3-prop-1-en-2-yl-1H-pyrrole.

Molecular Properties

Compound Name3-prop-1-en-2-yl-1H-pyrrole
PubChem CID10898669
Molecular FormulaC7H9N
Molecular Weight107.16 g/mol
Exact Mass107.07
IUPAC Name3-prop-1-en-2-yl-1H-pyrrole
SMILESC=C(C)c1cc[nH]c1
InChIInChI=1S/C7H9N/c1-6(2)7-3-4-8-5-7/h3-5,8H,1H2,2H3
InChIKeyUJWCLLOFLKMTQY-UHFFFAOYSA-N
XLogP2.05
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.16
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-prop-1-en-2-yl-1H-pyrrole?
The IUPAC name of 3-prop-1-en-2-yl-1H-pyrrole (CID 10898669) is 3-prop-1-en-2-yl-1H-pyrrole.
What is the SMILES notation for 3-prop-1-en-2-yl-1H-pyrrole?
The canonical SMILES for 3-prop-1-en-2-yl-1H-pyrrole is C=C(C)c1cc[nH]c1.
What is the InChIKey of 3-prop-1-en-2-yl-1H-pyrrole?
The InChIKey is UJWCLLOFLKMTQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N/c1-6(2)7-3-4-8-5-7/h3-5,8H,1H2,2H3.
What are the key properties of 3-prop-1-en-2-yl-1H-pyrrole?
3-prop-1-en-2-yl-1H-pyrrole has a molecular weight of 107.16 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-1-en-2-yl-1H-pyrrole is sourced from PubChem (CID 10898669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).