4-ethenyl-5-ethyl-2-methyl-3H-pyrrole

C9H13N — CID 170048037

IUPAC4-ethenyl-5-ethyl-2-methyl-3H-pyrrole
SMILESC=CC1=C(CC)N=C(C)C1
InChIInChI=1S/C9H13N/c1-4-8-6-7(3)10-9(8)5-2/h4H,1,5-6H2,2-3H3
InChIKeyBHBWMSUMHIOWSP-UHFFFAOYSA-N
MW135.21 g/mol
LogP2.70
Rot. Bonds2

About 4-ethenyl-5-ethyl-2-methyl-3H-pyrrole

4-ethenyl-5-ethyl-2-methyl-3H-pyrrole (PubChem CID 170048037) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is 4-ethenyl-5-ethyl-2-methyl-3H-pyrrole.

Molecular Properties

Compound Name4-ethenyl-5-ethyl-2-methyl-3H-pyrrole
PubChem CID170048037
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name4-ethenyl-5-ethyl-2-methyl-3H-pyrrole
SMILESC=CC1=C(CC)N=C(C)C1
InChIInChI=1S/C9H13N/c1-4-8-6-7(3)10-9(8)5-2/h4H,1,5-6H2,2-3H3
InChIKeyBHBWMSUMHIOWSP-UHFFFAOYSA-N
XLogP2.70
TPSA12.36 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 ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-5-ethyl-2-methyl-3H-pyrrole?
The IUPAC name of 4-ethenyl-5-ethyl-2-methyl-3H-pyrrole (CID 170048037) is 4-ethenyl-5-ethyl-2-methyl-3H-pyrrole.
What is the SMILES notation for 4-ethenyl-5-ethyl-2-methyl-3H-pyrrole?
The canonical SMILES for 4-ethenyl-5-ethyl-2-methyl-3H-pyrrole is C=CC1=C(CC)N=C(C)C1.
What is the InChIKey of 4-ethenyl-5-ethyl-2-methyl-3H-pyrrole?
The InChIKey is BHBWMSUMHIOWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N/c1-4-8-6-7(3)10-9(8)5-2/h4H,1,5-6H2,2-3H3.
What are the key properties of 4-ethenyl-5-ethyl-2-methyl-3H-pyrrole?
4-ethenyl-5-ethyl-2-methyl-3H-pyrrole has a molecular weight of 135.21 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-5-ethyl-2-methyl-3H-pyrrole is sourced from PubChem (CID 170048037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).