4-butyl-3,5-dimethyl-2H-pyrrole

C10H17N — CID 58851243

IUPAC4-butyl-3,5-dimethyl-2H-pyrrole
SMILESCCCCC1=C(C)CN=C1C
InChIInChI=1S/C10H17N/c1-4-5-6-10-8(2)7-11-9(10)3/h4-7H2,1-3H3
InChIKeyDABSVUUVUQPPBA-UHFFFAOYSA-N
MW151.25 g/mol
LogP2.97
Rot. Bonds3

About 4-butyl-3,5-dimethyl-2H-pyrrole

4-butyl-3,5-dimethyl-2H-pyrrole (PubChem CID 58851243) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 4-butyl-3,5-dimethyl-2H-pyrrole.

Molecular Properties

Compound Name4-butyl-3,5-dimethyl-2H-pyrrole
PubChem CID58851243
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name4-butyl-3,5-dimethyl-2H-pyrrole
SMILESCCCCC1=C(C)CN=C1C
InChIInChI=1S/C10H17N/c1-4-5-6-10-8(2)7-11-9(10)3/h4-7H2,1-3H3
InChIKeyDABSVUUVUQPPBA-UHFFFAOYSA-N
XLogP2.97
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.97
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
(E)-N-ethyl-5-fluoro-4-methylhex-4-en-3-imine
CID 89104249
(E)-N,4-diethyl-5-fluorohex-4-en-3-imine
CID 89330768
5-Methyl-4-pentyl-2h-pyrrole
CID 134817822
3,4,5-trimethyl-2H-pyrrole
CID 12554796
5-Methyl-3-propan-2-ylidene-2,4-dihydropyrrole
CID 13017224
2,3,4,5-tetramethyl-2H-pyrrole
CID 18508458
3-methyl-4,5,6,7,8,9-hexahydro-2H-cycloocta[b]pyrrole
CID 20674236
1-[4-(C,N-dimethylcarbonimidoyl)-2,3-dimethylcyclopenta-1,3-dien-1-yl]-N-methylethanimine
CID 20681042
N,2,3-trimethylcyclohex-2-en-1-imine
CID 21303745
N,2,3-trimethylcyclopent-2-en-1-imine
CID 21303746
carbanide;meitnerium;2,3,4,5-tetramethyl-2H-pyrrole
CID 59085075

Frequently Asked Questions

What is the IUPAC name of 4-butyl-3,5-dimethyl-2H-pyrrole?
The IUPAC name of 4-butyl-3,5-dimethyl-2H-pyrrole (CID 58851243) is 4-butyl-3,5-dimethyl-2H-pyrrole.
What is the SMILES notation for 4-butyl-3,5-dimethyl-2H-pyrrole?
The canonical SMILES for 4-butyl-3,5-dimethyl-2H-pyrrole is CCCCC1=C(C)CN=C1C.
What is the InChIKey of 4-butyl-3,5-dimethyl-2H-pyrrole?
The InChIKey is DABSVUUVUQPPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-4-5-6-10-8(2)7-11-9(10)3/h4-7H2,1-3H3.
What are the key properties of 4-butyl-3,5-dimethyl-2H-pyrrole?
4-butyl-3,5-dimethyl-2H-pyrrole has a molecular weight of 151.25 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-3,5-dimethyl-2H-pyrrole is sourced from PubChem (CID 58851243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).