3-ethyl-1-(2-methylprop-2-enyl)pyrrole

C10H15N — CID 15529813

IUPAC3-ethyl-1-(2-methylprop-2-enyl)pyrrole
SMILESC=C(C)Cn1ccc(CC)c1
InChIInChI=1S/C10H15N/c1-4-10-5-6-11(8-10)7-9(2)3/h5-6,8H,2,4,7H2,1,3H3
InChIKeyIVTVIQVICZHTDR-UHFFFAOYSA-N
MW149.24 g/mol
LogP2.63
Rot. Bonds3

About 3-ethyl-1-(2-methylprop-2-enyl)pyrrole

3-ethyl-1-(2-methylprop-2-enyl)pyrrole (PubChem CID 15529813) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 3-ethyl-1-(2-methylprop-2-enyl)pyrrole.

Molecular Properties

Compound Name3-ethyl-1-(2-methylprop-2-enyl)pyrrole
PubChem CID15529813
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name3-ethyl-1-(2-methylprop-2-enyl)pyrrole
SMILESC=C(C)Cn1ccc(CC)c1
InChIInChI=1S/C10H15N/c1-4-10-5-6-11(8-10)7-9(2)3/h5-6,8H,2,4,7H2,1,3H3
InChIKeyIVTVIQVICZHTDR-UHFFFAOYSA-N
XLogP2.63
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-Ethylpyridine
CID 10822
4-(2-Pyrrolidinoethyl)pyridine
CID 238432
1H-Pyrrole, 1-(phenylmethyl)-
CID 74922
Dimethyl-(2-pyridin-3-yl-ethyl)-amine
CID 4401657
1,4-Dimethylpyridinium Iodide
CID 200603
Pyridine, 4-(2-dimethylaminoethyl)-
CID 98899
3-(1H-pyrrol-1-ylmethyl)pyridine
CID 697607
1-Butyl-4-methylpyridinium Chloride
CID 11074101
1-Butyl-4-methylpyridinium bromide
CID 13487610
1-Butyl-3-methylpyridinium iodide
CID 45268380
1-Butyl-3-methylpyridinium bromide
CID 12248306
N-(3-Pyridylmethyl)Pyrrolidine
CID 67786

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(2-methylprop-2-enyl)pyrrole?
The IUPAC name of 3-ethyl-1-(2-methylprop-2-enyl)pyrrole (CID 15529813) is 3-ethyl-1-(2-methylprop-2-enyl)pyrrole.
What is the SMILES notation for 3-ethyl-1-(2-methylprop-2-enyl)pyrrole?
The canonical SMILES for 3-ethyl-1-(2-methylprop-2-enyl)pyrrole is C=C(C)Cn1ccc(CC)c1.
What is the InChIKey of 3-ethyl-1-(2-methylprop-2-enyl)pyrrole?
The InChIKey is IVTVIQVICZHTDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N/c1-4-10-5-6-11(8-10)7-9(2)3/h5-6,8H,2,4,7H2,1,3H3.
What are the key properties of 3-ethyl-1-(2-methylprop-2-enyl)pyrrole?
3-ethyl-1-(2-methylprop-2-enyl)pyrrole has a molecular weight of 149.24 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(2-methylprop-2-enyl)pyrrole is sourced from PubChem (CID 15529813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).