3-ethenyl-4-propyl-3,4-dihydro-2H-pyrrole

C9H15N — CID 123260408

IUPAC3-ethenyl-4-propyl-3,4-dihydro-2H-pyrrole
SMILESC=CC1CN=CC1CCC
InChIInChI=1S/C9H15N/c1-3-5-9-7-10-6-8(9)4-2/h4,7-9H,2-3,5-6H2,1H3
InChIKeyHBPDGMQLTONYQT-UHFFFAOYSA-N
MW137.23 g/mol
LogP2.29
Rot. Bonds3

About 3-ethenyl-4-propyl-3,4-dihydro-2H-pyrrole

3-ethenyl-4-propyl-3,4-dihydro-2H-pyrrole (PubChem CID 123260408) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 3-ethenyl-4-propyl-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name3-ethenyl-4-propyl-3,4-dihydro-2H-pyrrole
PubChem CID123260408
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name3-ethenyl-4-propyl-3,4-dihydro-2H-pyrrole
SMILESC=CC1CN=CC1CCC
InChIInChI=1S/C9H15N/c1-3-5-9-7-10-6-8(9)4-2/h4,7-9H,2-3,5-6H2,1H3
InChIKeyHBPDGMQLTONYQT-UHFFFAOYSA-N
XLogP2.29
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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4,4a,7,7a-tetrahydro-1H-cyclopenta[c]pyridine
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Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-4-propyl-3,4-dihydro-2H-pyrrole?
The IUPAC name of 3-ethenyl-4-propyl-3,4-dihydro-2H-pyrrole (CID 123260408) is 3-ethenyl-4-propyl-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 3-ethenyl-4-propyl-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 3-ethenyl-4-propyl-3,4-dihydro-2H-pyrrole is C=CC1CN=CC1CCC.
What is the InChIKey of 3-ethenyl-4-propyl-3,4-dihydro-2H-pyrrole?
The InChIKey is HBPDGMQLTONYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-3-5-9-7-10-6-8(9)4-2/h4,7-9H,2-3,5-6H2,1H3.
What are the key properties of 3-ethenyl-4-propyl-3,4-dihydro-2H-pyrrole?
3-ethenyl-4-propyl-3,4-dihydro-2H-pyrrole has a molecular weight of 137.23 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-4-propyl-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 123260408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).