1-ethenyl-2-methyl-3-pentylpyrrole

C12H19N — CID 5189496

IUPAC1-ethenyl-2-methyl-3-pentylpyrrole
SMILESC=Cn1ccc(CCCCC)c1C
InChIInChI=1S/C12H19N/c1-4-6-7-8-12-9-10-13(5-2)11(12)3/h5,9-10H,2,4,6-8H2,1,3H3
InChIKeyVIMBQUWIKYJOBK-UHFFFAOYSA-N
MW177.29 g/mol
LogP3.63
Rot. Bonds5

About 1-ethenyl-2-methyl-3-pentylpyrrole

1-ethenyl-2-methyl-3-pentylpyrrole (PubChem CID 5189496) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 1-ethenyl-2-methyl-3-pentylpyrrole.

Molecular Properties

Compound Name1-ethenyl-2-methyl-3-pentylpyrrole
PubChem CID5189496
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name1-ethenyl-2-methyl-3-pentylpyrrole
SMILESC=Cn1ccc(CCCCC)c1C
InChIInChI=1S/C12H19N/c1-4-6-7-8-12-9-10-13(5-2)11(12)3/h5,9-10H,2,4,6-8H2,1,3H3
InChIKeyVIMBQUWIKYJOBK-UHFFFAOYSA-N
XLogP3.63
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,3-dimethyl-1,4-dipentylbenzene
CID 54478491
1,3-didecyl-2-ethenylbenzene
CID 10572118
5-ethenyl-1,2,3-tripentylbenzene
CID 123244940
1-ethenyl-2-pentylbenzene
CID 22171756
2-methyl-3-pentylfuran
CID 12555082
1-dodecyl-2-hexylbenzene
CID 19371073
1,2-di(undecyl)benzene
CID 3019479
1-nonyl-2-pentylbenzene
CID 54050070
1-hexadecyl-2-pentylbenzene
CID 53438584
1,2-di(nonadecyl)benzene
CID 101289987
1-(1-ethenyl-5-methyl-4-pentylpyrrol-2-yl)-2,2,2-trifluoroethanone
CID 3419824
1,2,3-tri(icosyl)benzene
CID 90987509

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-2-methyl-3-pentylpyrrole?
The IUPAC name of 1-ethenyl-2-methyl-3-pentylpyrrole (CID 5189496) is 1-ethenyl-2-methyl-3-pentylpyrrole.
What is the SMILES notation for 1-ethenyl-2-methyl-3-pentylpyrrole?
The canonical SMILES for 1-ethenyl-2-methyl-3-pentylpyrrole is C=Cn1ccc(CCCCC)c1C.
What is the InChIKey of 1-ethenyl-2-methyl-3-pentylpyrrole?
The InChIKey is VIMBQUWIKYJOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-4-6-7-8-12-9-10-13(5-2)11(12)3/h5,9-10H,2,4,6-8H2,1,3H3.
What are the key properties of 1-ethenyl-2-methyl-3-pentylpyrrole?
1-ethenyl-2-methyl-3-pentylpyrrole has a molecular weight of 177.29 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-2-methyl-3-pentylpyrrole is sourced from PubChem (CID 5189496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).