5-ethyl-1,4-di(propan-2-yl)-2,3-dihydropyrrole

C12H23N — CID 174352136

IUPAC5-ethyl-1,4-di(propan-2-yl)-2,3-dihydropyrrole
SMILESCCC1=C(C(C)C)CCN1C(C)C
InChIInChI=1S/C12H23N/c1-6-12-11(9(2)3)7-8-13(12)10(4)5/h9-10H,6-8H2,1-5H3
InChIKeySQTNFZREEMEKSI-UHFFFAOYSA-N
MW181.32 g/mol
LogP3.42
Rot. Bonds3

About 5-ethyl-1,4-di(propan-2-yl)-2,3-dihydropyrrole

5-ethyl-1,4-di(propan-2-yl)-2,3-dihydropyrrole (PubChem CID 174352136) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 5-ethyl-1,4-di(propan-2-yl)-2,3-dihydropyrrole.

Molecular Properties

Compound Name5-ethyl-1,4-di(propan-2-yl)-2,3-dihydropyrrole
PubChem CID174352136
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name5-ethyl-1,4-di(propan-2-yl)-2,3-dihydropyrrole
SMILESCCC1=C(C(C)C)CCN1C(C)C
InChIInChI=1S/C12H23N/c1-6-12-11(9(2)3)7-8-13(12)10(4)5/h9-10H,6-8H2,1-5H3
InChIKeySQTNFZREEMEKSI-UHFFFAOYSA-N
XLogP3.42
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-ethyl-1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine
CID 167225931
3-ethyl-1-propan-2-yl-1,3-diazinane-2,4-dione
CID 60644815
2-methylidene-1-propan-2-ylpyrrolidine;propane
CID 171846278
5-ethyl-6-propan-2-yl-7H-pyrrolo[1,2-c]imidazole
CID 155097383
1-propan-2-ylpyrrolidine-2-thione
CID 22966757
3-ethyl-2-imino-5-propan-2-yl-1,3,5-thiadiazinan-4-one
CID 170909340
1,3-di(propan-2-yl)-1,3-diazinane-2,4-dione
CID 60644562
ethane;1,3,4,5,6-penta(propan-2-yl)-2H-pyridine
CID 158001921
3,5-di(propan-2-yl)-6,7-dihydropyrrolo[2,3-b]pyrazine
CID 121384005
3,6-di(propan-2-yl)-4,5-dihydro-2H-pyrrolo[2,3-c]pyrazole;molecular hydrogen
CID 176992257
ethane;4-ethyl-1-methyl-3,8-di(propan-2-yl)-8-azaspiro[4.5]dec-3-ene
CID 177162235
1,3-di(propan-2-yl)azetidin-2-one
CID 166023384

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1,4-di(propan-2-yl)-2,3-dihydropyrrole?
The IUPAC name of 5-ethyl-1,4-di(propan-2-yl)-2,3-dihydropyrrole (CID 174352136) is 5-ethyl-1,4-di(propan-2-yl)-2,3-dihydropyrrole.
What is the SMILES notation for 5-ethyl-1,4-di(propan-2-yl)-2,3-dihydropyrrole?
The canonical SMILES for 5-ethyl-1,4-di(propan-2-yl)-2,3-dihydropyrrole is CCC1=C(C(C)C)CCN1C(C)C.
What is the InChIKey of 5-ethyl-1,4-di(propan-2-yl)-2,3-dihydropyrrole?
The InChIKey is SQTNFZREEMEKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-6-12-11(9(2)3)7-8-13(12)10(4)5/h9-10H,6-8H2,1-5H3.
What are the key properties of 5-ethyl-1,4-di(propan-2-yl)-2,3-dihydropyrrole?
5-ethyl-1,4-di(propan-2-yl)-2,3-dihydropyrrole has a molecular weight of 181.32 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1,4-di(propan-2-yl)-2,3-dihydropyrrole is sourced from PubChem (CID 174352136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).