3-ethenyl-2-propyl-1H-pyrrole

C9H13N — CID 143902050

IUPAC3-ethenyl-2-propyl-1H-pyrrole
SMILESC=Cc1cc[nH]c1CCC
InChIInChI=1S/C9H13N/c1-3-5-9-8(4-2)6-7-10-9/h4,6-7,10H,2-3,5H2,1H3
InChIKeyJQXVYEJCRVWWKL-UHFFFAOYSA-N
MW135.21 g/mol
LogP2.61
Rot. Bonds3

About 3-ethenyl-2-propyl-1H-pyrrole

3-ethenyl-2-propyl-1H-pyrrole (PubChem CID 143902050) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is 3-ethenyl-2-propyl-1H-pyrrole.

Molecular Properties

Compound Name3-ethenyl-2-propyl-1H-pyrrole
PubChem CID143902050
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name3-ethenyl-2-propyl-1H-pyrrole
SMILESC=Cc1cc[nH]c1CCC
InChIInChI=1S/C9H13N/c1-3-5-9-8(4-2)6-7-10-9/h4,6-7,10H,2-3,5H2,1H3
InChIKeyJQXVYEJCRVWWKL-UHFFFAOYSA-N
XLogP2.61
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 70540256
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2-ethenyl-3-ethyl-1H-pyrrole
CID 144842515
2,3-dipropyl-1H-pyrrole;1H-pyrrole;ruthenium
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3-nitro-2-propyl-1H-pyrrole
CID 100914810
N-(3-ethenyl-1H-pyrrol-2-yl)methanimine
CID 142590840
2-(1-bromoprop-1-enyl)-3-ethenyl-1H-pyrrole
CID 90462452
1-ethenyl-2,4-dipropylbenzene
CID 22033822
1-ethenyl-3-fluoro-2-propylbenzene
CID 66613054
1-bromo-3-ethenyl-2-propylbenzene
CID 171086774

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-2-propyl-1H-pyrrole?
The IUPAC name of 3-ethenyl-2-propyl-1H-pyrrole (CID 143902050) is 3-ethenyl-2-propyl-1H-pyrrole.
What is the SMILES notation for 3-ethenyl-2-propyl-1H-pyrrole?
The canonical SMILES for 3-ethenyl-2-propyl-1H-pyrrole is C=Cc1cc[nH]c1CCC.
What is the InChIKey of 3-ethenyl-2-propyl-1H-pyrrole?
The InChIKey is JQXVYEJCRVWWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N/c1-3-5-9-8(4-2)6-7-10-9/h4,6-7,10H,2-3,5H2,1H3.
What are the key properties of 3-ethenyl-2-propyl-1H-pyrrole?
3-ethenyl-2-propyl-1H-pyrrole has a molecular weight of 135.21 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-2-propyl-1H-pyrrole is sourced from PubChem (CID 143902050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).