1,2-dimethyl-5-methylidenepyrrol-1-ium

C7H10N+ — CID 123329878

IUPAC1,2-dimethyl-5-methylidenepyrrol-1-ium
SMILESC=C1C=CC(C)=[N+]1C
InChIInChI=1S/C7H10N/c1-6-4-5-7(2)8(6)3/h4-5H,1H2,2-3H3/q+1
InChIKeyVWRIMFJLFCOSKX-UHFFFAOYSA-N
MW108.16 g/mol
LogP1.17
Rot. Bonds

About 1,2-dimethyl-5-methylidenepyrrol-1-ium

1,2-dimethyl-5-methylidenepyrrol-1-ium (PubChem CID 123329878) has the molecular formula C7H10N+ and a molecular weight of 108.16 g/mol. Its IUPAC name is 1,2-dimethyl-5-methylidenepyrrol-1-ium.

Molecular Properties

Compound Name1,2-dimethyl-5-methylidenepyrrol-1-ium
PubChem CID123329878
Molecular FormulaC7H10N+
Molecular Weight108.16 g/mol
Exact Mass108.08
IUPAC Name1,2-dimethyl-5-methylidenepyrrol-1-ium
SMILESC=C1C=CC(C)=[N+]1C
InChIInChI=1S/C7H10N/c1-6-4-5-7(2)8(6)3/h4-5H,1H2,2-3H3/q+1
InChIKeyVWRIMFJLFCOSKX-UHFFFAOYSA-N
XLogP1.17
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.16
LogP ≤ 51.17
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

2-Methyl-5-methylidenepyrrole
CID 15825887
N,N-dimethylcyclopenta-1,4-dien-1-amine
CID 17775259
1,5-dimethyl-2H-pyrrol-1-ium
CID 58637135
N-[(3Z)-hexa-1,3-dien-2-yl]propan-2-imine
CID 88874599
1,3,5-Trimethyl-2-methylidenepyrrol-1-ium
CID 90949451
(Z)-N-[(3Z)-hexa-1,3-dien-2-yl]hex-3-en-2-imine
CID 123288448
(4Z)-N-[(2E,4E)-octa-2,4,6-trien-4-yl]hepta-1,4-dien-3-imine
CID 123379230
(Z)-N-[(3Z)-penta-1,3-dien-2-yl]pent-3-en-2-imine
CID 123384437
1,2,4-Trimethylazet-1-ium
CID 123416341
(3Z)-5-imino-N,N-dimethylhexa-1,3-dien-2-amine
CID 123460988
Methyl-pent-3-en-2-ylidene-prop-1-en-2-ylazanium
CID 123554348
1,2,7-trimethyl-4H-azepin-1-ium
CID 123625317

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-5-methylidenepyrrol-1-ium?
The IUPAC name of 1,2-dimethyl-5-methylidenepyrrol-1-ium (CID 123329878) is 1,2-dimethyl-5-methylidenepyrrol-1-ium.
What is the SMILES notation for 1,2-dimethyl-5-methylidenepyrrol-1-ium?
The canonical SMILES for 1,2-dimethyl-5-methylidenepyrrol-1-ium is C=C1C=CC(C)=[N+]1C.
What is the InChIKey of 1,2-dimethyl-5-methylidenepyrrol-1-ium?
The InChIKey is VWRIMFJLFCOSKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N/c1-6-4-5-7(2)8(6)3/h4-5H,1H2,2-3H3/q+1.
What are the key properties of 1,2-dimethyl-5-methylidenepyrrol-1-ium?
1,2-dimethyl-5-methylidenepyrrol-1-ium has a molecular weight of 108.16 g/mol, XLogP of 1.17, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-5-methylidenepyrrol-1-ium is sourced from PubChem (CID 123329878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).