1-propyl-2,3-dihydropyrrole

C7H13N — CID 54114765

IUPAC1-propyl-2,3-dihydropyrrole
SMILESCCCN1C=CCC1
InChIInChI=1S/C7H13N/c1-2-5-8-6-3-4-7-8/h3,6H,2,4-5,7H2,1H3
InChIKeyDDAFOIFTPRGYAS-UHFFFAOYSA-N
MW111.19 g/mol
LogP1.62
Rot. Bonds2

About 1-propyl-2,3-dihydropyrrole

1-propyl-2,3-dihydropyrrole (PubChem CID 54114765) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is 1-propyl-2,3-dihydropyrrole.

Molecular Properties

Compound Name1-propyl-2,3-dihydropyrrole
PubChem CID54114765
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name1-propyl-2,3-dihydropyrrole
SMILESCCCN1C=CCC1
InChIInChI=1S/C7H13N/c1-2-5-8-6-3-4-7-8/h3,6H,2,4-5,7H2,1H3
InChIKeyDDAFOIFTPRGYAS-UHFFFAOYSA-N
XLogP1.62
TPSA3.24 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 ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-propyl-2,3-dihydropyrrole?
The IUPAC name of 1-propyl-2,3-dihydropyrrole (CID 54114765) is 1-propyl-2,3-dihydropyrrole.
What is the SMILES notation for 1-propyl-2,3-dihydropyrrole?
The canonical SMILES for 1-propyl-2,3-dihydropyrrole is CCCN1C=CCC1.
What is the InChIKey of 1-propyl-2,3-dihydropyrrole?
The InChIKey is DDAFOIFTPRGYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N/c1-2-5-8-6-3-4-7-8/h3,6H,2,4-5,7H2,1H3.
What are the key properties of 1-propyl-2,3-dihydropyrrole?
1-propyl-2,3-dihydropyrrole has a molecular weight of 111.19 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-2,3-dihydropyrrole is sourced from PubChem (CID 54114765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).