1-pentyl-2,5-dihydropyrrole

C9H17N — CID 69341797

IUPAC1-pentyl-2,5-dihydropyrrole
SMILESCCCCCN1CC=CC1
InChIInChI=1S/C9H17N/c1-2-3-4-7-10-8-5-6-9-10/h5-6H,2-4,7-9H2,1H3
InChIKeyAZBQUQKRQXPQBL-UHFFFAOYSA-N
MW139.24 g/mol
LogP2.05
Rot. Bonds4

About 1-pentyl-2,5-dihydropyrrole

1-pentyl-2,5-dihydropyrrole (PubChem CID 69341797) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 1-pentyl-2,5-dihydropyrrole.

Molecular Properties

Compound Name1-pentyl-2,5-dihydropyrrole
PubChem CID69341797
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name1-pentyl-2,5-dihydropyrrole
SMILESCCCCCN1CC=CC1
InChIInChI=1S/C9H17N/c1-2-3-4-7-10-8-5-6-9-10/h5-6H,2-4,7-9H2,1H3
InChIKeyAZBQUQKRQXPQBL-UHFFFAOYSA-N
XLogP2.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 174586231
1,3,5-tri(hexacosyl)-1,3,5-triazinane
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1-octylaziridine
CID 544653
1,4,7-tridodecyl-1,4,7-triazonane
CID 66887116
(3S,4S)-1-hexadecylpyrrolidine-3,4-diol
CID 129411144
1-heptylazetidine
CID 134402356
1-dodecylazepane
CID 3366129
1-decylpiperidine
CID 4649960
1,4,7,10-tetraheptyl-1,4,7,10-tetrazacyclotridecane
CID 24824731
ethane;1-methyl-4-pentylpiperazine
CID 145099418
1-octylazonane
CID 20533821
1-ethyl-4-undecylpiperazine
CID 21399231

Frequently Asked Questions

What is the IUPAC name of 1-pentyl-2,5-dihydropyrrole?
The IUPAC name of 1-pentyl-2,5-dihydropyrrole (CID 69341797) is 1-pentyl-2,5-dihydropyrrole.
What is the SMILES notation for 1-pentyl-2,5-dihydropyrrole?
The canonical SMILES for 1-pentyl-2,5-dihydropyrrole is CCCCCN1CC=CC1.
What is the InChIKey of 1-pentyl-2,5-dihydropyrrole?
The InChIKey is AZBQUQKRQXPQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-2-3-4-7-10-8-5-6-9-10/h5-6H,2-4,7-9H2,1H3.
What are the key properties of 1-pentyl-2,5-dihydropyrrole?
1-pentyl-2,5-dihydropyrrole has a molecular weight of 139.24 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentyl-2,5-dihydropyrrole is sourced from PubChem (CID 69341797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).