3,5-diethyl-4-propan-2-yl-2H-pyrrole

C11H19N — CID 118344871

IUPAC3,5-diethyl-4-propan-2-yl-2H-pyrrole
SMILESCCC1=NCC(CC)=C1C(C)C
InChIInChI=1S/C11H19N/c1-5-9-7-12-10(6-2)11(9)8(3)4/h8H,5-7H2,1-4H3
InChIKeyOQVMSCOFZHAYBP-UHFFFAOYSA-N
MW165.28 g/mol
LogP3.21
Rot. Bonds3

About 3,5-diethyl-4-propan-2-yl-2H-pyrrole

3,5-diethyl-4-propan-2-yl-2H-pyrrole (PubChem CID 118344871) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 3,5-diethyl-4-propan-2-yl-2H-pyrrole.

Molecular Properties

Compound Name3,5-diethyl-4-propan-2-yl-2H-pyrrole
PubChem CID118344871
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name3,5-diethyl-4-propan-2-yl-2H-pyrrole
SMILESCCC1=NCC(CC)=C1C(C)C
InChIInChI=1S/C11H19N/c1-5-9-7-12-10(6-2)11(9)8(3)4/h8H,5-7H2,1-4H3
InChIKeyOQVMSCOFZHAYBP-UHFFFAOYSA-N
XLogP3.21
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-Ethyl-4-(propan-2-ylidene)-3,4-dihydro-2H-pyrrole
CID 13272518
7-ethyl-5-fluoro-3-methyl-6-propan-2-yl-3,4-dihydro-2H-azepine
CID 123951611
(E)-5-fluoro-N-methyl-4-propan-2-ylhex-4-en-3-imine
CID 144510980
(4E)-2,2,5-trimethyl-4-(1-methylpropylidene)-3H-pyrrole
CID 3003771
(4Z)-4-butan-2-ylidene-2,2,5-trimethyl-3H-pyrrole
CID 5356326
3-propan-2-yl-4,5,6,7-tetrahydro-1H-isoindole
CID 20604071
2,3,6-trimethyl-N,5-di(propan-2-yl)hepta-2,5-dien-4-imine
CID 20647016
2,5-dimethyl-N,4-di(propan-2-yl)hex-4-en-3-imine
CID 20647017
4,5-di(propan-2-yl)-2H-pyrrole
CID 22891060
2,3,5-tri(propan-2-yl)-2H-pyrrole
CID 58164648
2,4,5-tri(propan-2-yl)-2H-pyrrole
CID 58164706
4-tert-butyl-3,5-dimethyl-2H-pyrrole
CID 58186510

Frequently Asked Questions

What is the IUPAC name of 3,5-diethyl-4-propan-2-yl-2H-pyrrole?
The IUPAC name of 3,5-diethyl-4-propan-2-yl-2H-pyrrole (CID 118344871) is 3,5-diethyl-4-propan-2-yl-2H-pyrrole.
What is the SMILES notation for 3,5-diethyl-4-propan-2-yl-2H-pyrrole?
The canonical SMILES for 3,5-diethyl-4-propan-2-yl-2H-pyrrole is CCC1=NCC(CC)=C1C(C)C.
What is the InChIKey of 3,5-diethyl-4-propan-2-yl-2H-pyrrole?
The InChIKey is OQVMSCOFZHAYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-5-9-7-12-10(6-2)11(9)8(3)4/h8H,5-7H2,1-4H3.
What are the key properties of 3,5-diethyl-4-propan-2-yl-2H-pyrrole?
3,5-diethyl-4-propan-2-yl-2H-pyrrole has a molecular weight of 165.28 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethyl-4-propan-2-yl-2H-pyrrole is sourced from PubChem (CID 118344871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).