5-prop-1-en-2-yl-3,4-dihydro-2H-pyrrole

C7H11N — CID 21137936

IUPAC5-prop-1-en-2-yl-3,4-dihydro-2H-pyrrole
SMILESC=C(C)C1=NCCC1
InChIInChI=1S/C7H11N/c1-6(2)7-4-3-5-8-7/h1,3-5H2,2H3
InChIKeyYVLCCEDXAPQLJF-UHFFFAOYSA-N
MW109.17 g/mol
LogP1.80
Rot. Bonds1

About 5-prop-1-en-2-yl-3,4-dihydro-2H-pyrrole

5-prop-1-en-2-yl-3,4-dihydro-2H-pyrrole (PubChem CID 21137936) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is 5-prop-1-en-2-yl-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name5-prop-1-en-2-yl-3,4-dihydro-2H-pyrrole
PubChem CID21137936
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Name5-prop-1-en-2-yl-3,4-dihydro-2H-pyrrole
SMILESC=C(C)C1=NCCC1
InChIInChI=1S/C7H11N/c1-6(2)7-4-3-5-8-7/h1,3-5H2,2H3
InChIKeyYVLCCEDXAPQLJF-UHFFFAOYSA-N
XLogP1.80
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-prop-1-en-2-yl-3,4-dihydro-2H-pyrrole?
The IUPAC name of 5-prop-1-en-2-yl-3,4-dihydro-2H-pyrrole (CID 21137936) is 5-prop-1-en-2-yl-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 5-prop-1-en-2-yl-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 5-prop-1-en-2-yl-3,4-dihydro-2H-pyrrole is C=C(C)C1=NCCC1.
What is the InChIKey of 5-prop-1-en-2-yl-3,4-dihydro-2H-pyrrole?
The InChIKey is YVLCCEDXAPQLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N/c1-6(2)7-4-3-5-8-7/h1,3-5H2,2H3.
What are the key properties of 5-prop-1-en-2-yl-3,4-dihydro-2H-pyrrole?
5-prop-1-en-2-yl-3,4-dihydro-2H-pyrrole has a molecular weight of 109.17 g/mol, XLogP of 1.80, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-prop-1-en-2-yl-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 21137936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).