2-methylidene-5-propan-2-yl-3,4-dihydropyrrole

C8H13N — CID 59581235

IUPAC2-methylidene-5-propan-2-yl-3,4-dihydropyrrole
SMILESC=C1CCC(C(C)C)=N1
InChIInChI=1S/C8H13N/c1-6(2)8-5-4-7(3)9-8/h6H,3-5H2,1-2H3
InChIKeyIIGJMIPIUMEDOX-UHFFFAOYSA-N
MW123.20 g/mol
LogP2.39
Rot. Bonds1

About 2-methylidene-5-propan-2-yl-3,4-dihydropyrrole

2-methylidene-5-propan-2-yl-3,4-dihydropyrrole (PubChem CID 59581235) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 2-methylidene-5-propan-2-yl-3,4-dihydropyrrole.

Molecular Properties

Compound Name2-methylidene-5-propan-2-yl-3,4-dihydropyrrole
PubChem CID59581235
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name2-methylidene-5-propan-2-yl-3,4-dihydropyrrole
SMILESC=C1CCC(C(C)C)=N1
InChIInChI=1S/C8H13N/c1-6(2)8-5-4-7(3)9-8/h6H,3-5H2,1-2H3
InChIKeyIIGJMIPIUMEDOX-UHFFFAOYSA-N
XLogP2.39
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methylidene-5-propan-2-yl-3,4-dihydropyrrole?
The IUPAC name of 2-methylidene-5-propan-2-yl-3,4-dihydropyrrole (CID 59581235) is 2-methylidene-5-propan-2-yl-3,4-dihydropyrrole.
What is the SMILES notation for 2-methylidene-5-propan-2-yl-3,4-dihydropyrrole?
The canonical SMILES for 2-methylidene-5-propan-2-yl-3,4-dihydropyrrole is C=C1CCC(C(C)C)=N1.
What is the InChIKey of 2-methylidene-5-propan-2-yl-3,4-dihydropyrrole?
The InChIKey is IIGJMIPIUMEDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-6(2)8-5-4-7(3)9-8/h6H,3-5H2,1-2H3.
What are the key properties of 2-methylidene-5-propan-2-yl-3,4-dihydropyrrole?
2-methylidene-5-propan-2-yl-3,4-dihydropyrrole has a molecular weight of 123.20 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-5-propan-2-yl-3,4-dihydropyrrole is sourced from PubChem (CID 59581235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).