5-ethenyl-2,4-dimethyl-1-(3-methylbutyl)-2,3-dihydropyrrole

C13H23N — CID 91364666

IUPAC5-ethenyl-2,4-dimethyl-1-(3-methylbutyl)-2,3-dihydropyrrole
SMILESC=CC1=C(C)CC(C)N1CCC(C)C
InChIInChI=1S/C13H23N/c1-6-13-11(4)9-12(5)14(13)8-7-10(2)3/h6,10,12H,1,7-9H2,2-5H3
InChIKeyBABLKCQLJRSDDH-UHFFFAOYSA-N
MW193.33 g/mol
LogP3.59
Rot. Bonds4

About 5-ethenyl-2,4-dimethyl-1-(3-methylbutyl)-2,3-dihydropyrrole

5-ethenyl-2,4-dimethyl-1-(3-methylbutyl)-2,3-dihydropyrrole (PubChem CID 91364666) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 5-ethenyl-2,4-dimethyl-1-(3-methylbutyl)-2,3-dihydropyrrole.

Molecular Properties

Compound Name5-ethenyl-2,4-dimethyl-1-(3-methylbutyl)-2,3-dihydropyrrole
PubChem CID91364666
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name5-ethenyl-2,4-dimethyl-1-(3-methylbutyl)-2,3-dihydropyrrole
SMILESC=CC1=C(C)CC(C)N1CCC(C)C
InChIInChI=1S/C13H23N/c1-6-13-11(4)9-12(5)14(13)8-7-10(2)3/h6,10,12H,1,7-9H2,2-5H3
InChIKeyBABLKCQLJRSDDH-UHFFFAOYSA-N
XLogP3.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-2,4-dimethyl-1-(3-methylbutyl)-2,3-dihydropyrrole?
The IUPAC name of 5-ethenyl-2,4-dimethyl-1-(3-methylbutyl)-2,3-dihydropyrrole (CID 91364666) is 5-ethenyl-2,4-dimethyl-1-(3-methylbutyl)-2,3-dihydropyrrole.
What is the SMILES notation for 5-ethenyl-2,4-dimethyl-1-(3-methylbutyl)-2,3-dihydropyrrole?
The canonical SMILES for 5-ethenyl-2,4-dimethyl-1-(3-methylbutyl)-2,3-dihydropyrrole is C=CC1=C(C)CC(C)N1CCC(C)C.
What is the InChIKey of 5-ethenyl-2,4-dimethyl-1-(3-methylbutyl)-2,3-dihydropyrrole?
The InChIKey is BABLKCQLJRSDDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-6-13-11(4)9-12(5)14(13)8-7-10(2)3/h6,10,12H,1,7-9H2,2-5H3.
What are the key properties of 5-ethenyl-2,4-dimethyl-1-(3-methylbutyl)-2,3-dihydropyrrole?
5-ethenyl-2,4-dimethyl-1-(3-methylbutyl)-2,3-dihydropyrrole has a molecular weight of 193.33 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-2,4-dimethyl-1-(3-methylbutyl)-2,3-dihydropyrrole is sourced from PubChem (CID 91364666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).