1-ethenyl-3-propan-2-ylpyrrole

C9H13N — CID 15688601

IUPAC1-ethenyl-3-propan-2-ylpyrrole
SMILESC=Cn1ccc(C(C)C)c1
InChIInChI=1S/C9H13N/c1-4-10-6-5-9(7-10)8(2)3/h4-8H,1H2,2-3H3
InChIKeyDNJHXCNSCBXCKB-UHFFFAOYSA-N
MW135.21 g/mol
LogP2.71
Rot. Bonds2

About 1-ethenyl-3-propan-2-ylpyrrole

1-ethenyl-3-propan-2-ylpyrrole (PubChem CID 15688601) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is 1-ethenyl-3-propan-2-ylpyrrole.

Molecular Properties

Compound Name1-ethenyl-3-propan-2-ylpyrrole
PubChem CID15688601
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name1-ethenyl-3-propan-2-ylpyrrole
SMILESC=Cn1ccc(C(C)C)c1
InChIInChI=1S/C9H13N/c1-4-10-6-5-9(7-10)8(2)3/h4-8H,1H2,2-3H3
InChIKeyDNJHXCNSCBXCKB-UHFFFAOYSA-N
XLogP2.71
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 ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-3-propan-2-ylpyrrole?
The IUPAC name of 1-ethenyl-3-propan-2-ylpyrrole (CID 15688601) is 1-ethenyl-3-propan-2-ylpyrrole.
What is the SMILES notation for 1-ethenyl-3-propan-2-ylpyrrole?
The canonical SMILES for 1-ethenyl-3-propan-2-ylpyrrole is C=Cn1ccc(C(C)C)c1.
What is the InChIKey of 1-ethenyl-3-propan-2-ylpyrrole?
The InChIKey is DNJHXCNSCBXCKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N/c1-4-10-6-5-9(7-10)8(2)3/h4-8H,1H2,2-3H3.
What are the key properties of 1-ethenyl-3-propan-2-ylpyrrole?
1-ethenyl-3-propan-2-ylpyrrole has a molecular weight of 135.21 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-3-propan-2-ylpyrrole is sourced from PubChem (CID 15688601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).