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

C7H13N — CID 565951

IUPAC5-propyl-3,4-dihydro-2H-pyrrole
SMILESCCCC1=NCCC1
InChIInChI=1S/C7H13N/c1-2-4-7-5-3-6-8-7/h2-6H2,1H3
InChIKeyBCGKMGNCBWZSPC-UHFFFAOYSA-N
MW111.19 g/mol
LogP2.02
Rot. Bonds2

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

5-propyl-3,4-dihydro-2H-pyrrole (PubChem CID 565951) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is 5-propyl-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name5-propyl-3,4-dihydro-2H-pyrrole
PubChem CID565951
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name5-propyl-3,4-dihydro-2H-pyrrole
SMILESCCCC1=NCCC1
InChIInChI=1S/C7H13N/c1-2-4-7-5-3-6-8-7/h2-6H2,1H3
InChIKeyBCGKMGNCBWZSPC-UHFFFAOYSA-N
XLogP2.02
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-propyl-3,4-dihydro-2H-pyrrole?
The IUPAC name of 5-propyl-3,4-dihydro-2H-pyrrole (CID 565951) is 5-propyl-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 5-propyl-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 5-propyl-3,4-dihydro-2H-pyrrole is CCCC1=NCCC1.
What is the InChIKey of 5-propyl-3,4-dihydro-2H-pyrrole?
The InChIKey is BCGKMGNCBWZSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N/c1-2-4-7-5-3-6-8-7/h2-6H2,1H3.
What are the key properties of 5-propyl-3,4-dihydro-2H-pyrrole?
5-propyl-3,4-dihydro-2H-pyrrole has a molecular weight of 111.19 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 565951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).