4-butyl-1,2-dimethyl-2,5-dihydropyrrole

C10H19N — CID 15505992

IUPAC4-butyl-1,2-dimethyl-2,5-dihydropyrrole
SMILESCCCCC1=CC(C)N(C)C1
InChIInChI=1S/C10H19N/c1-4-5-6-10-7-9(2)11(3)8-10/h7,9H,4-6,8H2,1-3H3
InChIKeyUFFCRMCGARQHIO-UHFFFAOYSA-N
MW153.27 g/mol
LogP2.44
Rot. Bonds3

About 4-butyl-1,2-dimethyl-2,5-dihydropyrrole

4-butyl-1,2-dimethyl-2,5-dihydropyrrole (PubChem CID 15505992) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 4-butyl-1,2-dimethyl-2,5-dihydropyrrole.

Molecular Properties

Compound Name4-butyl-1,2-dimethyl-2,5-dihydropyrrole
PubChem CID15505992
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name4-butyl-1,2-dimethyl-2,5-dihydropyrrole
SMILESCCCCC1=CC(C)N(C)C1
InChIInChI=1S/C10H19N/c1-4-5-6-10-7-9(2)11(3)8-10/h7,9H,4-6,8H2,1-3H3
InChIKeyUFFCRMCGARQHIO-UHFFFAOYSA-N
XLogP2.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-heptyl-1-methyl-4-(3-phenylpropyl)-2,5-dihydropyrrole
CID 11991255
1-butyl-3-chloro-5,5-dimethylcyclohexene
CID 65174791
3-butylcyclopent-2-en-1-ol
CID 65174589
4-butyl-1-methyl-3H-pyrrol-2-one
CID 171490713
3-butyl-2H-oxete
CID 141123822
1-butyl-4-ethylcyclopenta-1,3-diene
CID 139667427
2,4-dipentyl-1,3-dihydropyrazole
CID 69325833
(1R,5S)-3-butylbicyclo[3.2.0]hept-3-en-6-one
CID 129409262
1-pentylcyclopropene
CID 159067584
3-ethyl-5-methyl-1-pentylcyclohexa-1,3-diene
CID 163991367
4-butyl-2,3-dihydro-1H-pyrrole
CID 147736582
1-dodecylcyclopropene
CID 22621656

Frequently Asked Questions

What is the IUPAC name of 4-butyl-1,2-dimethyl-2,5-dihydropyrrole?
The IUPAC name of 4-butyl-1,2-dimethyl-2,5-dihydropyrrole (CID 15505992) is 4-butyl-1,2-dimethyl-2,5-dihydropyrrole.
What is the SMILES notation for 4-butyl-1,2-dimethyl-2,5-dihydropyrrole?
The canonical SMILES for 4-butyl-1,2-dimethyl-2,5-dihydropyrrole is CCCCC1=CC(C)N(C)C1.
What is the InChIKey of 4-butyl-1,2-dimethyl-2,5-dihydropyrrole?
The InChIKey is UFFCRMCGARQHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-4-5-6-10-7-9(2)11(3)8-10/h7,9H,4-6,8H2,1-3H3.
What are the key properties of 4-butyl-1,2-dimethyl-2,5-dihydropyrrole?
4-butyl-1,2-dimethyl-2,5-dihydropyrrole has a molecular weight of 153.27 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-1,2-dimethyl-2,5-dihydropyrrole is sourced from PubChem (CID 15505992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).