2-butyl-1-methyl-2,5-dihydropyrrole

C9H17N — CID 142492351

IUPAC2-butyl-1-methyl-2,5-dihydropyrrole
SMILESCCCCC1C=CCN1C
InChIInChI=1S/C9H17N/c1-3-4-6-9-7-5-8-10(9)2/h5,7,9H,3-4,6,8H2,1-2H3
InChIKeyCDGIQRLDYNVOIY-UHFFFAOYSA-N
MW139.24 g/mol
LogP2.05
Rot. Bonds3

About 2-butyl-1-methyl-2,5-dihydropyrrole

2-butyl-1-methyl-2,5-dihydropyrrole (PubChem CID 142492351) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 2-butyl-1-methyl-2,5-dihydropyrrole.

Molecular Properties

Compound Name2-butyl-1-methyl-2,5-dihydropyrrole
PubChem CID142492351
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name2-butyl-1-methyl-2,5-dihydropyrrole
SMILESCCCCC1C=CCN1C
InChIInChI=1S/C9H17N/c1-3-4-6-9-7-5-8-10(9)2/h5,7,9H,3-4,6,8H2,1-2H3
InChIKeyCDGIQRLDYNVOIY-UHFFFAOYSA-N
XLogP2.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.05
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

1-methyl-2-propyl-2,5-dihydropyrrole
CID 153356137
3-[(2S)-2-butyl-2,5-dihydropyrrole-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
CID 95217019
(2-butyl-2,5-dihydropyrrol-1-yl)-(2-ethyl-4-methyl-1,3-oxazol-5-yl)methanone
CID 77085631
[(2R)-2-butyl-2,5-dihydropyrrol-1-yl]-(2-propan-2-ylpyrimidin-4-yl)methanone
CID 95549980
[(2R)-2-butyl-2,5-dihydropyrrol-1-yl]-(1-methyl-2-morpholin-4-ylbenzimidazol-5-yl)methanone
CID 97209841
3,6-dibutylcyclohexa-1,4-diene
CID 90992302
[(2R)-2-butyl-2,5-dihydropyrrol-1-yl]-[3-(2-methylpropyl)-1,2-oxazol-5-yl]methanone
CID 97156870
1-[4-[(2S)-2-butyl-2,5-dihydropyrrole-1-carbonyl]phenyl]imidazolidine-2,4-dione
CID 95221192
5-[[[(2R)-2-butyl-2,5-dihydropyrrole-1-carbonyl]amino]methyl]furan-2-carboxylic acid
CID 126432982
2-[4-[(2R)-2-butyl-2,5-dihydropyrrole-1-carbonyl]phenyl]-N-methylpyridine-4-carboxamide
CID 126430092
(2R)-2-butyl-N-(2-methoxy-6-methylphenyl)-2,5-dihydropyrrole-1-carboxamide
CID 125177259
1-pentyl-2,5-dihydropyrrole
CID 69341797

Frequently Asked Questions

What is the IUPAC name of 2-butyl-1-methyl-2,5-dihydropyrrole?
The IUPAC name of 2-butyl-1-methyl-2,5-dihydropyrrole (CID 142492351) is 2-butyl-1-methyl-2,5-dihydropyrrole.
What is the SMILES notation for 2-butyl-1-methyl-2,5-dihydropyrrole?
The canonical SMILES for 2-butyl-1-methyl-2,5-dihydropyrrole is CCCCC1C=CCN1C.
What is the InChIKey of 2-butyl-1-methyl-2,5-dihydropyrrole?
The InChIKey is CDGIQRLDYNVOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-3-4-6-9-7-5-8-10(9)2/h5,7,9H,3-4,6,8H2,1-2H3.
What are the key properties of 2-butyl-1-methyl-2,5-dihydropyrrole?
2-butyl-1-methyl-2,5-dihydropyrrole has a molecular weight of 139.24 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1-methyl-2,5-dihydropyrrole is sourced from PubChem (CID 142492351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).