5-ethyl-1-pentyl-2,3-dihydropyrrole

C11H21N — CID 175503648

IUPAC5-ethyl-1-pentyl-2,3-dihydropyrrole
SMILESCCCCCN1CCC=C1CC
InChIInChI=1S/C11H21N/c1-3-5-6-9-12-10-7-8-11(12)4-2/h8H,3-7,9-10H2,1-2H3
InChIKeyNMIXXYBAWQXNAN-UHFFFAOYSA-N
MW167.30 g/mol
LogP3.18
Rot. Bonds5

About 5-ethyl-1-pentyl-2,3-dihydropyrrole

5-ethyl-1-pentyl-2,3-dihydropyrrole (PubChem CID 175503648) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 5-ethyl-1-pentyl-2,3-dihydropyrrole.

Molecular Properties

Compound Name5-ethyl-1-pentyl-2,3-dihydropyrrole
PubChem CID175503648
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name5-ethyl-1-pentyl-2,3-dihydropyrrole
SMILESCCCCCN1CCC=C1CC
InChIInChI=1S/C11H21N/c1-3-5-6-9-12-10-7-8-11(12)4-2/h8H,3-7,9-10H2,1-2H3
InChIKeyNMIXXYBAWQXNAN-UHFFFAOYSA-N
XLogP3.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-5-ethyl-2,3-dihydropyrrole;methanesulfonic acid
CID 175583350
(4-fluorophenyl)-(1-hexyl-2,3-dihydropyrrol-5-yl)methanone
CID 152522204
1,3-dioctylimidazolidin-2-one
CID 19987667
5-methyl-4-pentyl-2,3-dihydro-1H-pyrazine
CID 67688279
2-(5-heptadecan-8-yl-2,3-dihydropyrrol-1-yl)acetamide
CID 57217187
2-methylidene-1-nonylpyrrolidine
CID 70210485
1-dodecylpyrrolidin-2-one
CID 70222371
1-hexylpyrrolidin-2-one
CID 158904818
1-heptyl-2-methyl-4,5-dihydroimidazole
CID 15395015
7,12,22,27-tetrapentyl-2,17-dioxa-7,12,22,27-tetrazapentacyclo[26.2.2.23,6.213,16.218,21]octatriaconta-1(30),3(38),4,6(37),13(36),14,16(35),18,20,28,31,33-dodecaene
CID 101121234
4-methyl-1-octylpiperidin-2-one
CID 139271548
1-hexyl-4-methyl-2,3-dihydropyridin-6-one
CID 25137379

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-pentyl-2,3-dihydropyrrole?
The IUPAC name of 5-ethyl-1-pentyl-2,3-dihydropyrrole (CID 175503648) is 5-ethyl-1-pentyl-2,3-dihydropyrrole.
What is the SMILES notation for 5-ethyl-1-pentyl-2,3-dihydropyrrole?
The canonical SMILES for 5-ethyl-1-pentyl-2,3-dihydropyrrole is CCCCCN1CCC=C1CC.
What is the InChIKey of 5-ethyl-1-pentyl-2,3-dihydropyrrole?
The InChIKey is NMIXXYBAWQXNAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-3-5-6-9-12-10-7-8-11(12)4-2/h8H,3-7,9-10H2,1-2H3.
What are the key properties of 5-ethyl-1-pentyl-2,3-dihydropyrrole?
5-ethyl-1-pentyl-2,3-dihydropyrrole has a molecular weight of 167.30 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-pentyl-2,3-dihydropyrrole is sourced from PubChem (CID 175503648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).