1-ethyl-3-prop-1-en-2-ylpyrrole

C9H13N — CID 167303809

IUPAC1-ethyl-3-prop-1-en-2-ylpyrrole
SMILESC=C(C)c1ccn(CC)c1
InChIInChI=1S/C9H13N/c1-4-10-6-5-9(7-10)8(2)3/h5-7H,2,4H2,1,3H3
InChIKeyQZNRRPKMROOTHT-UHFFFAOYSA-N
MW135.21 g/mol
LogP2.54
Rot. Bonds2

About 1-ethyl-3-prop-1-en-2-ylpyrrole

1-ethyl-3-prop-1-en-2-ylpyrrole (PubChem CID 167303809) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is 1-ethyl-3-prop-1-en-2-ylpyrrole.

Molecular Properties

Compound Name1-ethyl-3-prop-1-en-2-ylpyrrole
PubChem CID167303809
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name1-ethyl-3-prop-1-en-2-ylpyrrole
SMILESC=C(C)c1ccn(CC)c1
InChIInChI=1S/C9H13N/c1-4-10-6-5-9(7-10)8(2)3/h5-7H,2,4H2,1,3H3
InChIKeyQZNRRPKMROOTHT-UHFFFAOYSA-N
XLogP2.54
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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1-(1-propylpyrrol-3-yl)ethanone
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3-chloro-1-ethylpyrrole
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1-(1-prop-2-enylpyrrol-3-yl)ethanone
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1-[1-(2-bromoprop-2-enyl)pyrrol-3-yl]propan-1-one
CID 79099398
1-[1-(2-hydroxyethyl)pyrrol-3-yl]ethanone
CID 79106828
ethane;1-ethyl-3-hydroxypyridin-4-one
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1-propylpyrrole-3-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-prop-1-en-2-ylpyrrole?
The IUPAC name of 1-ethyl-3-prop-1-en-2-ylpyrrole (CID 167303809) is 1-ethyl-3-prop-1-en-2-ylpyrrole.
What is the SMILES notation for 1-ethyl-3-prop-1-en-2-ylpyrrole?
The canonical SMILES for 1-ethyl-3-prop-1-en-2-ylpyrrole is C=C(C)c1ccn(CC)c1.
What is the InChIKey of 1-ethyl-3-prop-1-en-2-ylpyrrole?
The InChIKey is QZNRRPKMROOTHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N/c1-4-10-6-5-9(7-10)8(2)3/h5-7H,2,4H2,1,3H3.
What are the key properties of 1-ethyl-3-prop-1-en-2-ylpyrrole?
1-ethyl-3-prop-1-en-2-ylpyrrole has a molecular weight of 135.21 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-prop-1-en-2-ylpyrrole is sourced from PubChem (CID 167303809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).