5-propyl-2H-pyrrole

C7H11N — CID 58270090

IUPAC5-propyl-2H-pyrrole
SMILESCCCC1=NCC=C1
InChIInChI=1S/C7H11N/c1-2-4-7-5-3-6-8-7/h3,5H,2,4,6H2,1H3
InChIKeySZTDENKBQIUKBS-UHFFFAOYSA-N
MW109.17 g/mol
LogP1.80
Rot. Bonds2

About 5-propyl-2H-pyrrole

5-propyl-2H-pyrrole (PubChem CID 58270090) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is 5-propyl-2H-pyrrole.

Molecular Properties

Compound Name5-propyl-2H-pyrrole
PubChem CID58270090
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Name5-propyl-2H-pyrrole
SMILESCCCC1=NCC=C1
InChIInChI=1S/C7H11N/c1-2-4-7-5-3-6-8-7/h3,5H,2,4,6H2,1H3
InChIKeySZTDENKBQIUKBS-UHFFFAOYSA-N
XLogP1.80
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-methyl-2H-pyrrole
CID 12554804
2,5-Dimethyl-2H-pyrrole
CID 21811124
3Hlutidine
CID 54235887
6-Ethyl-2,3-dihydropyridine
CID 58693567
(Z)-6-fluoro-N-methylhex-4-en-3-imine
CID 123508641
5-(1-fluoroethyl)-4-methyl-2H-pyrrole
CID 160626280
5-Ethenyl-4-ethylidene-2,3-dihydropyrrole
CID 90829219
5-(1,1-difluoroethyl)-2H-pyrrole
CID 145200832
5-[(E)-hept-1-enyl]-3,4-dihydro-2H-pyrrole
CID 71531028
5-propan-2-yl-2H-pyrrole
CID 18736790
3,5-dimethyl-2H-pyrrole
CID 20653105
N-methylcyclohex-2-en-1-imine
CID 20718417

Frequently Asked Questions

What is the IUPAC name of 5-propyl-2H-pyrrole?
The IUPAC name of 5-propyl-2H-pyrrole (CID 58270090) is 5-propyl-2H-pyrrole.
What is the SMILES notation for 5-propyl-2H-pyrrole?
The canonical SMILES for 5-propyl-2H-pyrrole is CCCC1=NCC=C1.
What is the InChIKey of 5-propyl-2H-pyrrole?
The InChIKey is SZTDENKBQIUKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N/c1-2-4-7-5-3-6-8-7/h3,5H,2,4,6H2,1H3.
What are the key properties of 5-propyl-2H-pyrrole?
5-propyl-2H-pyrrole has a molecular weight of 109.17 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-2H-pyrrole is sourced from PubChem (CID 58270090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).