5-(3-methylbut-1-en-2-yl)-3H-pyrrole

C9H13N — CID 59657423

IUPAC5-(3-methylbut-1-en-2-yl)-3H-pyrrole
SMILESC=C(C1=CCC=N1)C(C)C
InChIInChI=1S/C9H13N/c1-7(2)8(3)9-5-4-6-10-9/h5-7H,3-4H2,1-2H3
InChIKeyHFKVXJVKGHDGPZ-UHFFFAOYSA-N
MW135.21 g/mol
LogP2.56
Rot. Bonds2

About 5-(3-methylbut-1-en-2-yl)-3H-pyrrole

5-(3-methylbut-1-en-2-yl)-3H-pyrrole (PubChem CID 59657423) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is 5-(3-methylbut-1-en-2-yl)-3H-pyrrole.

Molecular Properties

Compound Name5-(3-methylbut-1-en-2-yl)-3H-pyrrole
PubChem CID59657423
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name5-(3-methylbut-1-en-2-yl)-3H-pyrrole
SMILESC=C(C1=CCC=N1)C(C)C
InChIInChI=1S/C9H13N/c1-7(2)8(3)9-5-4-6-10-9/h5-7H,3-4H2,1-2H3
InChIKeyHFKVXJVKGHDGPZ-UHFFFAOYSA-N
XLogP2.56
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 ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methylbut-1-en-2-yl)-3H-pyrrole?
The IUPAC name of 5-(3-methylbut-1-en-2-yl)-3H-pyrrole (CID 59657423) is 5-(3-methylbut-1-en-2-yl)-3H-pyrrole.
What is the SMILES notation for 5-(3-methylbut-1-en-2-yl)-3H-pyrrole?
The canonical SMILES for 5-(3-methylbut-1-en-2-yl)-3H-pyrrole is C=C(C1=CCC=N1)C(C)C.
What is the InChIKey of 5-(3-methylbut-1-en-2-yl)-3H-pyrrole?
The InChIKey is HFKVXJVKGHDGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N/c1-7(2)8(3)9-5-4-6-10-9/h5-7H,3-4H2,1-2H3.
What are the key properties of 5-(3-methylbut-1-en-2-yl)-3H-pyrrole?
5-(3-methylbut-1-en-2-yl)-3H-pyrrole has a molecular weight of 135.21 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylbut-1-en-2-yl)-3H-pyrrole is sourced from PubChem (CID 59657423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).