(3-ethenyl-1,3-dihydropyrrol-2-ylidene)-ethyl-methylazanium

C9H15N2+ — CID 91426073

IUPAC(3-ethenyl-1,3-dihydropyrrol-2-ylidene)-ethyl-methylazanium
SMILESC=CC1C=CN/C1=[N+](/C)CC
InChIInChI=1S/C9H14N2/c1-4-8-6-7-10-9(8)11(3)5-2/h4,6-8H,1,5H2,2-3H3/p+1
InChIKeyRJVANPAZZZHCPR-UHFFFAOYSA-O
MW151.23 g/mol
LogP0.97
Rot. Bonds2

About (3-ethenyl-1,3-dihydropyrrol-2-ylidene)-ethyl-methylazanium

(3-ethenyl-1,3-dihydropyrrol-2-ylidene)-ethyl-methylazanium (PubChem CID 91426073) has the molecular formula C9H15N2+ and a molecular weight of 151.23 g/mol. Its IUPAC name is (3-ethenyl-1,3-dihydropyrrol-2-ylidene)-ethyl-methylazanium.

Molecular Properties

Compound Name(3-ethenyl-1,3-dihydropyrrol-2-ylidene)-ethyl-methylazanium
PubChem CID91426073
Molecular FormulaC9H15N2+
Molecular Weight151.23 g/mol
Exact Mass151.12
IUPAC Name(3-ethenyl-1,3-dihydropyrrol-2-ylidene)-ethyl-methylazanium
SMILESC=CC1C=CN/C1=[N+](/C)CC
InChIInChI=1S/C9H14N2/c1-4-8-6-7-10-9(8)11(3)5-2/h4,6-8H,1,5H2,2-3H3/p+1
InChIKeyRJVANPAZZZHCPR-UHFFFAOYSA-O
XLogP0.97
TPSA15.04 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.23
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-propan-2-yl-1H-imidazol-1-ium
CID 20276869
1-methanidyl-2-propan-2-yl-1H-imidazol-1-ium
CID 59401491
2-prop-2-enyl-1H-1,3-diazepine
CID 69249614
3a,4-dihydro-1H-pyrrolo[2,3-b]pyridine
CID 70327680
(4E,8E)-2,7-dimethyl-6,7-dihydro-1H-1,3-diazonine
CID 89337028
N-[(Z)-but-1-enyl]-N'-methylethanimidamide
CID 89347354
2-Propan-2-yl-1,4-dihydropyrimidine
CID 90888073
4-Methyl-2-propan-2-yl-1,4-dihydropyrimidine
CID 117839090
N-[(1E)-buta-1,3-dienyl]-N'-methylpropanimidamide
CID 118486678
2,5-dimethyl-4,5-dihydro-1H-1,3-diazepine
CID 123227184
1-methyl-3H-pyrrol-1-ium-2-amine
CID 123481387
4,4-dimethyl-2-propan-2-yl-1H-pyrimidine
CID 123559590

Frequently Asked Questions

What is the IUPAC name of (3-ethenyl-1,3-dihydropyrrol-2-ylidene)-ethyl-methylazanium?
The IUPAC name of (3-ethenyl-1,3-dihydropyrrol-2-ylidene)-ethyl-methylazanium (CID 91426073) is (3-ethenyl-1,3-dihydropyrrol-2-ylidene)-ethyl-methylazanium.
What is the SMILES notation for (3-ethenyl-1,3-dihydropyrrol-2-ylidene)-ethyl-methylazanium?
The canonical SMILES for (3-ethenyl-1,3-dihydropyrrol-2-ylidene)-ethyl-methylazanium is C=CC1C=CN/C1=[N+](/C)CC.
What is the InChIKey of (3-ethenyl-1,3-dihydropyrrol-2-ylidene)-ethyl-methylazanium?
The InChIKey is RJVANPAZZZHCPR-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H14N2/c1-4-8-6-7-10-9(8)11(3)5-2/h4,6-8H,1,5H2,2-3H3/p+1.
What are the key properties of (3-ethenyl-1,3-dihydropyrrol-2-ylidene)-ethyl-methylazanium?
(3-ethenyl-1,3-dihydropyrrol-2-ylidene)-ethyl-methylazanium has a molecular weight of 151.23 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethenyl-1,3-dihydropyrrol-2-ylidene)-ethyl-methylazanium is sourced from PubChem (CID 91426073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).