3-ethyl-4-methyl-2-propan-2-yl-5-propan-2-ylidene-3,4-dihydropyrrole

C13H23N — CID 23518376

IUPAC3-ethyl-4-methyl-2-propan-2-yl-5-propan-2-ylidene-3,4-dihydropyrrole
SMILESCCC1C(C(C)C)=NC(=C(C)C)C1C
InChIInChI=1S/C13H23N/c1-7-11-10(6)12(8(2)3)14-13(11)9(4)5/h9-11H,7H2,1-6H3
InChIKeyFPIIGUCWXBLBSZ-UHFFFAOYSA-N
MW193.33 g/mol
LogP4.05
Rot. Bonds2

About 3-ethyl-4-methyl-2-propan-2-yl-5-propan-2-ylidene-3,4-dihydropyrrole

3-ethyl-4-methyl-2-propan-2-yl-5-propan-2-ylidene-3,4-dihydropyrrole (PubChem CID 23518376) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 3-ethyl-4-methyl-2-propan-2-yl-5-propan-2-ylidene-3,4-dihydropyrrole.

Molecular Properties

Compound Name3-ethyl-4-methyl-2-propan-2-yl-5-propan-2-ylidene-3,4-dihydropyrrole
PubChem CID23518376
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name3-ethyl-4-methyl-2-propan-2-yl-5-propan-2-ylidene-3,4-dihydropyrrole
SMILESCCC1C(C(C)C)=NC(=C(C)C)C1C
InChIInChI=1S/C13H23N/c1-7-11-10(6)12(8(2)3)14-13(11)9(4)5/h9-11H,7H2,1-6H3
InChIKeyFPIIGUCWXBLBSZ-UHFFFAOYSA-N
XLogP4.05
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2H-Pyrrole, 3,4-dihydro-4,4,5-trimethyl-2-(1-methylethylidene)-
CID 5325603
4-ethyl-2,3,5-trimethyl-3H-pyrrole
CID 21054911
2,3,4,5-tetramethyl-3H-pyrrole
CID 53757448
3,4,5,6-Tetramethyl-2-propan-2-yl-3,4-dihydropyridine
CID 57757693
2-propan-2-yl-4,5,6,7-tetrahydro-3H-indole
CID 58032103
2,3,3,4,4,5,6-Heptamethylpyridine
CID 58108493
2,3,5-tri(propan-2-yl)-3H-pyrrole
CID 58164588
2-methyl-4,5-di(propan-2-yl)-3H-pyrrole
CID 58201783
4,5-dimethyl-2-propan-2-yl-3H-pyrrole
CID 58746494
3,3,4,4-Tetramethyl-2-propan-2-yl-5-propan-2-ylidenepyrrole
CID 58795703
5-butyl-2,4-dimethyl-3H-pyrrole
CID 58851256
carbanide;meitnerium;2,3,4,5-tetramethyl-3H-pyrrole
CID 59085074

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-methyl-2-propan-2-yl-5-propan-2-ylidene-3,4-dihydropyrrole?
The IUPAC name of 3-ethyl-4-methyl-2-propan-2-yl-5-propan-2-ylidene-3,4-dihydropyrrole (CID 23518376) is 3-ethyl-4-methyl-2-propan-2-yl-5-propan-2-ylidene-3,4-dihydropyrrole.
What is the SMILES notation for 3-ethyl-4-methyl-2-propan-2-yl-5-propan-2-ylidene-3,4-dihydropyrrole?
The canonical SMILES for 3-ethyl-4-methyl-2-propan-2-yl-5-propan-2-ylidene-3,4-dihydropyrrole is CCC1C(C(C)C)=NC(=C(C)C)C1C.
What is the InChIKey of 3-ethyl-4-methyl-2-propan-2-yl-5-propan-2-ylidene-3,4-dihydropyrrole?
The InChIKey is FPIIGUCWXBLBSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-7-11-10(6)12(8(2)3)14-13(11)9(4)5/h9-11H,7H2,1-6H3.
What are the key properties of 3-ethyl-4-methyl-2-propan-2-yl-5-propan-2-ylidene-3,4-dihydropyrrole?
3-ethyl-4-methyl-2-propan-2-yl-5-propan-2-ylidene-3,4-dihydropyrrole has a molecular weight of 193.33 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-methyl-2-propan-2-yl-5-propan-2-ylidene-3,4-dihydropyrrole is sourced from PubChem (CID 23518376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).