1,2-di(propan-2-yl)-2H-pyrrol-1-ium

C10H18N+ — CID 140709719

IUPAC1,2-di(propan-2-yl)-2H-pyrrol-1-ium
SMILESCC(C)C1C=CC=[N+]1C(C)C
InChIInChI=1S/C10H18N/c1-8(2)10-6-5-7-11(10)9(3)4/h5-10H,1-4H3/q+1
InChIKeyASQZVWSQFYIFQD-UHFFFAOYSA-N
MW152.26 g/mol
LogP2.07
Rot. Bonds2

About 1,2-di(propan-2-yl)-2H-pyrrol-1-ium

1,2-di(propan-2-yl)-2H-pyrrol-1-ium (PubChem CID 140709719) has the molecular formula C10H18N+ and a molecular weight of 152.26 g/mol. Its IUPAC name is 1,2-di(propan-2-yl)-2H-pyrrol-1-ium.

Molecular Properties

Compound Name1,2-di(propan-2-yl)-2H-pyrrol-1-ium
PubChem CID140709719
Molecular FormulaC10H18N+
Molecular Weight152.26 g/mol
Exact Mass152.14
IUPAC Name1,2-di(propan-2-yl)-2H-pyrrol-1-ium
SMILESCC(C)C1C=CC=[N+]1C(C)C
InChIInChI=1S/C10H18N/c1-8(2)10-6-5-7-11(10)9(3)4/h5-10H,1-4H3/q+1
InChIKeyASQZVWSQFYIFQD-UHFFFAOYSA-N
XLogP2.07
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.26
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1,2-Di(propan-2-yl)-2,5-dihydropyrrole
CID 58778697
(2R)-1,2-di(propan-2-yl)-2,5-dihydropyrrole
CID 59404840
2-[(E)-2,3-dimethylbut-1-enyl]-2,3-dihydropyridine
CID 59887789
2-propan-2-yl-2H-pyrrole
CID 89224267
1-methylidene-6-propan-2-yl-3,6-dihydro-2H-pyridin-1-ium
CID 90746991
N,N-diethyl-2-(2-methylpyrrol-2-yl)ethanamine
CID 91365768
1,3,7-Trimethyl-1-azoniacycloundeca-4,8,11-triene
CID 123271073
1,2-Dimethyl-5-propan-2-yl-2,5-dihydropyrrole
CID 126707341
2-ethenyl-3-[(Z)-prop-1-enyl]-2,3-dihydropyridine
CID 132265015
(Z)-4-methyl-N-propan-2-ylhex-2-en-1-imine
CID 134504345
(Z)-N-(3-methylbutan-2-yl)hex-2-en-1-imine
CID 138484871
(2R)-1-ethyl-2-propan-2-yl-2,5-dihydropyrrole
CID 139299070

Frequently Asked Questions

What is the IUPAC name of 1,2-di(propan-2-yl)-2H-pyrrol-1-ium?
The IUPAC name of 1,2-di(propan-2-yl)-2H-pyrrol-1-ium (CID 140709719) is 1,2-di(propan-2-yl)-2H-pyrrol-1-ium.
What is the SMILES notation for 1,2-di(propan-2-yl)-2H-pyrrol-1-ium?
The canonical SMILES for 1,2-di(propan-2-yl)-2H-pyrrol-1-ium is CC(C)C1C=CC=[N+]1C(C)C.
What is the InChIKey of 1,2-di(propan-2-yl)-2H-pyrrol-1-ium?
The InChIKey is ASQZVWSQFYIFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N/c1-8(2)10-6-5-7-11(10)9(3)4/h5-10H,1-4H3/q+1.
What are the key properties of 1,2-di(propan-2-yl)-2H-pyrrol-1-ium?
1,2-di(propan-2-yl)-2H-pyrrol-1-ium has a molecular weight of 152.26 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-di(propan-2-yl)-2H-pyrrol-1-ium is sourced from PubChem (CID 140709719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).