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

C9H15N — CID 170211113

IUPAC5-ethenyl-3-propyl-3,4-dihydro-2H-pyrrole
SMILESC=CC1=NCC(CCC)C1
InChIInChI=1S/C9H15N/c1-3-5-8-6-9(4-2)10-7-8/h4,8H,2-3,5-7H2,1H3
InChIKeyBBVNWZSPSWEELL-UHFFFAOYSA-N
MW137.23 g/mol
LogP2.43
Rot. Bonds3

About 5-ethenyl-3-propyl-3,4-dihydro-2H-pyrrole

5-ethenyl-3-propyl-3,4-dihydro-2H-pyrrole (PubChem CID 170211113) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 5-ethenyl-3-propyl-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name5-ethenyl-3-propyl-3,4-dihydro-2H-pyrrole
PubChem CID170211113
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name5-ethenyl-3-propyl-3,4-dihydro-2H-pyrrole
SMILESC=CC1=NCC(CCC)C1
InChIInChI=1S/C9H15N/c1-3-5-8-6-9(4-2)10-7-8/h4,8H,2-3,5-7H2,1H3
InChIKeyBBVNWZSPSWEELL-UHFFFAOYSA-N
XLogP2.43
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 ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-3-propyl-3,4-dihydro-2H-pyrrole?
The IUPAC name of 5-ethenyl-3-propyl-3,4-dihydro-2H-pyrrole (CID 170211113) is 5-ethenyl-3-propyl-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 5-ethenyl-3-propyl-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 5-ethenyl-3-propyl-3,4-dihydro-2H-pyrrole is C=CC1=NCC(CCC)C1.
What is the InChIKey of 5-ethenyl-3-propyl-3,4-dihydro-2H-pyrrole?
The InChIKey is BBVNWZSPSWEELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-3-5-8-6-9(4-2)10-7-8/h4,8H,2-3,5-7H2,1H3.
What are the key properties of 5-ethenyl-3-propyl-3,4-dihydro-2H-pyrrole?
5-ethenyl-3-propyl-3,4-dihydro-2H-pyrrole has a molecular weight of 137.23 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-3-propyl-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 170211113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).