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

C11H21N — CID 141242671

IUPAC5-heptyl-2,3-dihydro-1H-pyrrole
SMILESCCCCCCCC1=CCCN1
InChIInChI=1S/C11H21N/c1-2-3-4-5-6-8-11-9-7-10-12-11/h9,12H,2-8,10H2,1H3
InChIKeyBRTDFXGSFGTKKR-UHFFFAOYSA-N
MW167.30 g/mol
LogP3.22
Rot. Bonds6

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

5-heptyl-2,3-dihydro-1H-pyrrole (PubChem CID 141242671) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 5-heptyl-2,3-dihydro-1H-pyrrole.

Molecular Properties

Compound Name5-heptyl-2,3-dihydro-1H-pyrrole
PubChem CID141242671
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name5-heptyl-2,3-dihydro-1H-pyrrole
SMILESCCCCCCCC1=CCCN1
InChIInChI=1S/C11H21N/c1-2-3-4-5-6-8-11-9-7-10-12-11/h9,12H,2-8,10H2,1H3
InChIKeyBRTDFXGSFGTKKR-UHFFFAOYSA-N
XLogP3.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 53.22
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-pentyl-2,3-dihydro-1H-pyrrole
CID 141242689
5-propyl-2,3-dihydro-1H-pyrrole
CID 44718755
1-hexylcyclobutene
CID 86205685
5-[1-(2,3-dihydro-1H-pyrrol-5-yl)decyl]-2,3-dihydro-1H-pyrrole
CID 141260814
1-tridecylcyclopropene
CID 22621692
1-dodecylcyclopropene
CID 22621656
(5-heptadecyl-3-methyl-1,2-dihydropyrrol-3-yl)methanol
CID 141262183
1-pentylcyclopropene
CID 159067584
1-octylcyclohexene
CID 519088
undecane chloride
CID 19736895
1-hexylcycloheptene
CID 15587826
1-nonylcyclooctene
CID 151486862

Frequently Asked Questions

What is the IUPAC name of 5-heptyl-2,3-dihydro-1H-pyrrole?
The IUPAC name of 5-heptyl-2,3-dihydro-1H-pyrrole (CID 141242671) is 5-heptyl-2,3-dihydro-1H-pyrrole.
What is the SMILES notation for 5-heptyl-2,3-dihydro-1H-pyrrole?
The canonical SMILES for 5-heptyl-2,3-dihydro-1H-pyrrole is CCCCCCCC1=CCCN1.
What is the InChIKey of 5-heptyl-2,3-dihydro-1H-pyrrole?
The InChIKey is BRTDFXGSFGTKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-2-3-4-5-6-8-11-9-7-10-12-11/h9,12H,2-8,10H2,1H3.
What are the key properties of 5-heptyl-2,3-dihydro-1H-pyrrole?
5-heptyl-2,3-dihydro-1H-pyrrole has a molecular weight of 167.30 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-heptyl-2,3-dihydro-1H-pyrrole is sourced from PubChem (CID 141242671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).