1,2-dimethyl-2,3-dihydro-1H-pyrrol-1-ium

C6H12N+ — CID 59858271

IUPAC1,2-dimethyl-2,3-dihydro-1H-pyrrol-1-ium
SMILESCC1CC=C[NH+]1C
InChIInChI=1S/C6H11N/c1-6-4-3-5-7(6)2/h3,5-6H,4H2,1-2H3/p+1
InChIKeyMUKOYRJZZPTNHT-UHFFFAOYSA-O
MW98.17 g/mol
LogP-0.19
Rot. Bonds

About 1,2-dimethyl-2,3-dihydro-1H-pyrrol-1-ium

1,2-dimethyl-2,3-dihydro-1H-pyrrol-1-ium (PubChem CID 59858271) has the molecular formula C6H12N+ and a molecular weight of 98.17 g/mol. Its IUPAC name is 1,2-dimethyl-2,3-dihydro-1H-pyrrol-1-ium.

Molecular Properties

Compound Name1,2-dimethyl-2,3-dihydro-1H-pyrrol-1-ium
PubChem CID59858271
Molecular FormulaC6H12N+
Molecular Weight98.17 g/mol
Exact Mass98.10
IUPAC Name1,2-dimethyl-2,3-dihydro-1H-pyrrol-1-ium
SMILESCC1CC=C[NH+]1C
InChIInChI=1S/C6H11N/c1-6-4-3-5-7(6)2/h3,5-6H,4H2,1-2H3/p+1
InChIKeyMUKOYRJZZPTNHT-UHFFFAOYSA-O
XLogP-0.19
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.17
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

(+)-2,3-Dihydro-3-methyl-1H-pyrrole
CID 22419314
2-Ethyltetrahydropyridine
CID 68154428
N-methyl-4-penten-2-amine
CID 13400857
5-Methylpyrroline
CID 14620016
Tetrahydropicolin
CID 18920318
5,5-Dimethylpyrroline
CID 22455999
1-Methyl--pyrrolinium chloride
CID 68589039
4-fluoro-2-methyl-2,3-dihydro-1H-pyrrole
CID 146392631
5-fluoro-2-methyl-2,3-dihydro-1H-pyrrole
CID 167172418
(Z)-N-(4-fluorobutan-2-yl)pent-1-en-1-amine
CID 167199979
N-[(E)-prop-1-enyl]butan-2-amine
CID 12599840
(E)-N-ethylpent-1-en-1-amine
CID 15570747

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-2,3-dihydro-1H-pyrrol-1-ium?
The IUPAC name of 1,2-dimethyl-2,3-dihydro-1H-pyrrol-1-ium (CID 59858271) is 1,2-dimethyl-2,3-dihydro-1H-pyrrol-1-ium.
What is the SMILES notation for 1,2-dimethyl-2,3-dihydro-1H-pyrrol-1-ium?
The canonical SMILES for 1,2-dimethyl-2,3-dihydro-1H-pyrrol-1-ium is CC1CC=C[NH+]1C.
What is the InChIKey of 1,2-dimethyl-2,3-dihydro-1H-pyrrol-1-ium?
The InChIKey is MUKOYRJZZPTNHT-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H11N/c1-6-4-3-5-7(6)2/h3,5-6H,4H2,1-2H3/p+1.
What are the key properties of 1,2-dimethyl-2,3-dihydro-1H-pyrrol-1-ium?
1,2-dimethyl-2,3-dihydro-1H-pyrrol-1-ium has a molecular weight of 98.17 g/mol, XLogP of -0.19, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-2,3-dihydro-1H-pyrrol-1-ium is sourced from PubChem (CID 59858271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).