5-pentyl-2,3-dihydro-1H-pyrrole

C9H17N — CID 141242689

IUPAC5-pentyl-2,3-dihydro-1H-pyrrole
SMILESCCCCCC1=CCCN1
InChIInChI=1S/C9H17N/c1-2-3-4-6-9-7-5-8-10-9/h7,10H,2-6,8H2,1H3
InChIKeyULVKWLICOGLQDO-UHFFFAOYSA-N
MW139.24 g/mol
LogP2.44
Rot. Bonds4

About 5-pentyl-2,3-dihydro-1H-pyrrole

5-pentyl-2,3-dihydro-1H-pyrrole (PubChem CID 141242689) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 5-pentyl-2,3-dihydro-1H-pyrrole.

Molecular Properties

Compound Name5-pentyl-2,3-dihydro-1H-pyrrole
PubChem CID141242689
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name5-pentyl-2,3-dihydro-1H-pyrrole
SMILESCCCCCC1=CCCN1
InChIInChI=1S/C9H17N/c1-2-3-4-6-9-7-5-8-10-9/h7,10H,2-6,8H2,1H3
InChIKeyULVKWLICOGLQDO-UHFFFAOYSA-N
XLogP2.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-heptyl-2,3-dihydro-1H-pyrrole
CID 141242671
5-propyl-2,3-dihydro-1H-pyrrole
CID 44718755
5-[1-(2,3-dihydro-1H-pyrrol-5-yl)decyl]-2,3-dihydro-1H-pyrrole
CID 141260814
1-pentylcyclopropene
CID 159067584
1-hexylcyclobutene
CID 86205685
1-tridecylcyclopropene
CID 22621692
1-dodecylcyclopropene
CID 22621656
(5-heptadecyl-3-methyl-1,2-dihydropyrrol-3-yl)methanol
CID 141262183
6-[(E)-non-4-enyl]-3,4-dihydro-1H-pyridin-2-one
CID 134894496
1-octylcyclohexene
CID 519088
1-pentylcyclododecene
CID 150654776
1-hexylcycloheptene
CID 15587826

Frequently Asked Questions

What is the IUPAC name of 5-pentyl-2,3-dihydro-1H-pyrrole?
The IUPAC name of 5-pentyl-2,3-dihydro-1H-pyrrole (CID 141242689) is 5-pentyl-2,3-dihydro-1H-pyrrole.
What is the SMILES notation for 5-pentyl-2,3-dihydro-1H-pyrrole?
The canonical SMILES for 5-pentyl-2,3-dihydro-1H-pyrrole is CCCCCC1=CCCN1.
What is the InChIKey of 5-pentyl-2,3-dihydro-1H-pyrrole?
The InChIKey is ULVKWLICOGLQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-2-3-4-6-9-7-5-8-10-9/h7,10H,2-6,8H2,1H3.
What are the key properties of 5-pentyl-2,3-dihydro-1H-pyrrole?
5-pentyl-2,3-dihydro-1H-pyrrole has a molecular weight of 139.24 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pentyl-2,3-dihydro-1H-pyrrole is sourced from PubChem (CID 141242689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).