5-ethyl-3,3-dimethyl-4-methylidene-2H-pyrrole

C9H15N — CID 91088690

IUPAC5-ethyl-3,3-dimethyl-4-methylidene-2H-pyrrole
SMILESC=C1C(CC)=NCC1(C)C
InChIInChI=1S/C9H15N/c1-5-8-7(2)9(3,4)6-10-8/h2,5-6H2,1,3-4H3
InChIKeyYTFBSVFCDDOZIL-UHFFFAOYSA-N
MW137.23 g/mol
LogP2.43
Rot. Bonds1

About 5-ethyl-3,3-dimethyl-4-methylidene-2H-pyrrole

5-ethyl-3,3-dimethyl-4-methylidene-2H-pyrrole (PubChem CID 91088690) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 5-ethyl-3,3-dimethyl-4-methylidene-2H-pyrrole.

Molecular Properties

Compound Name5-ethyl-3,3-dimethyl-4-methylidene-2H-pyrrole
PubChem CID91088690
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name5-ethyl-3,3-dimethyl-4-methylidene-2H-pyrrole
SMILESC=C1C(CC)=NCC1(C)C
InChIInChI=1S/C9H15N/c1-5-8-7(2)9(3,4)6-10-8/h2,5-6H2,1,3-4H3
InChIKeyYTFBSVFCDDOZIL-UHFFFAOYSA-N
XLogP2.43
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-tert-butyl-2-methyl-3H-pyrrole
CID 20737593
5-prop-1-en-2-yl-3,4-dihydro-2H-pyrrole
CID 21137936
(4Z)-5-ethyl-3,3-dimethyl-4-propylidene-2H-pyrrole
CID 90739607
2,3,3,5-tetramethyl-4-methylidene-2H-pyrrole
CID 91113963
(4Z)-4-ethylidene-3,3,5-trimethyl-2H-pyrrole
CID 91393204
3,3,5-trimethyl-4-methylidene-2H-pyrrole
CID 123236228
N,5,5-trimethyl-4-methylidenehexan-3-imine
CID 123488530
4-(3,3-dimethylbutyl)-5-prop-1-en-2-yl-3,4-dihydro-2H-pyrrole
CID 126595087
5-Tert-butyl-4-methyl-3-methylidene-2,4-dihydropyrrole
CID 129288136
3,3-Dimethyl-5-prop-1-en-2-yl-2,4-dihydropyrrole
CID 141227467
5-Ethenyl-3,3-dimethyl-2,4-dihydropyrrole
CID 141258836
2-tert-butyl-4-methyl-3H-pyrrole
CID 167668298

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3,3-dimethyl-4-methylidene-2H-pyrrole?
The IUPAC name of 5-ethyl-3,3-dimethyl-4-methylidene-2H-pyrrole (CID 91088690) is 5-ethyl-3,3-dimethyl-4-methylidene-2H-pyrrole.
What is the SMILES notation for 5-ethyl-3,3-dimethyl-4-methylidene-2H-pyrrole?
The canonical SMILES for 5-ethyl-3,3-dimethyl-4-methylidene-2H-pyrrole is C=C1C(CC)=NCC1(C)C.
What is the InChIKey of 5-ethyl-3,3-dimethyl-4-methylidene-2H-pyrrole?
The InChIKey is YTFBSVFCDDOZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-5-8-7(2)9(3,4)6-10-8/h2,5-6H2,1,3-4H3.
What are the key properties of 5-ethyl-3,3-dimethyl-4-methylidene-2H-pyrrole?
5-ethyl-3,3-dimethyl-4-methylidene-2H-pyrrole has a molecular weight of 137.23 g/mol, XLogP of 2.43, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3,3-dimethyl-4-methylidene-2H-pyrrole is sourced from PubChem (CID 91088690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).