methyl-pent-3-enyl-pyrrolidin-2-ylideneazanium

C10H19N2+ — CID 123943797

IUPACmethyl-pent-3-enyl-pyrrolidin-2-ylideneazanium
SMILESCC=CCC/[N+](C)=C1\CCCN1
InChIInChI=1S/C10H18N2/c1-3-4-5-9-12(2)10-7-6-8-11-10/h3-4H,5-9H2,1-2H3/p+1
InChIKeyWVGMGYYBBMIRNZ-UHFFFAOYSA-O
MW167.28 g/mol
LogP1.38
Rot. Bonds3

About methyl-pent-3-enyl-pyrrolidin-2-ylideneazanium

methyl-pent-3-enyl-pyrrolidin-2-ylideneazanium (PubChem CID 123943797) has the molecular formula C10H19N2+ and a molecular weight of 167.28 g/mol. Its IUPAC name is methyl-pent-3-enyl-pyrrolidin-2-ylideneazanium.

Molecular Properties

Compound Namemethyl-pent-3-enyl-pyrrolidin-2-ylideneazanium
PubChem CID123943797
Molecular FormulaC10H19N2+
Molecular Weight167.28 g/mol
Exact Mass167.15
IUPAC Namemethyl-pent-3-enyl-pyrrolidin-2-ylideneazanium
SMILESCC=CCC/[N+](C)=C1\CCCN1
InChIInChI=1S/C10H18N2/c1-3-4-5-9-12(2)10-7-6-8-11-10/h3-4H,5-9H2,1-2H3/p+1
InChIKeyWVGMGYYBBMIRNZ-UHFFFAOYSA-O
XLogP1.38
TPSA15.04 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.28
LogP ≤ 51.38
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

Qxhjbiadxofkqz-nscuhmnnsa-
CID 13088312
2-[(3E,5E)-hepta-3,5-dienyl]-4,5-dihydro-1H-imidazole
CID 101024438
N-butyl-2,5-dihydropyridin-6-amine
CID 56627724
N-propyl-2,5-dihydropyridin-6-amine
CID 56630298
2-pent-2-enyl-4,5-dihydro-1H-imidazole
CID 90193128
N'-methyl-N-(3-methylhex-3-enyl)propanimidamide
CID 91334191
N-[(Z)-4-[butyl(propyl)amino]pent-2-enyl]-N'-methylethanimidamide
CID 143393865
ethane;ethene;N-methylethanamine;(Z)-N'-methyl-N-propylhex-3-enimidamide
CID 144001000
N-ethyl-N-[2-(methylamino)ethyl]-N'-[(Z)-pent-2-enyl]but-3-enimidamide
CID 164597835
(1E)-1-(1-methylpyrrolidin-2-ylidene)-3-[(E)-pent-2-enyl]urea
CID 15585222
2-(But-2-en-1-yl)-4,5-dihydro-1H-imidazole
CID 71412310
2-[2-[(E)-oct-3-enyl]-4,5-dihydroimidazol-1-yl]ethanamine
CID 101322846

Frequently Asked Questions

What is the IUPAC name of methyl-pent-3-enyl-pyrrolidin-2-ylideneazanium?
The IUPAC name of methyl-pent-3-enyl-pyrrolidin-2-ylideneazanium (CID 123943797) is methyl-pent-3-enyl-pyrrolidin-2-ylideneazanium.
What is the SMILES notation for methyl-pent-3-enyl-pyrrolidin-2-ylideneazanium?
The canonical SMILES for methyl-pent-3-enyl-pyrrolidin-2-ylideneazanium is CC=CCC/[N+](C)=C1\CCCN1.
What is the InChIKey of methyl-pent-3-enyl-pyrrolidin-2-ylideneazanium?
The InChIKey is WVGMGYYBBMIRNZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H18N2/c1-3-4-5-9-12(2)10-7-6-8-11-10/h3-4H,5-9H2,1-2H3/p+1.
What are the key properties of methyl-pent-3-enyl-pyrrolidin-2-ylideneazanium?
methyl-pent-3-enyl-pyrrolidin-2-ylideneazanium has a molecular weight of 167.28 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-pent-3-enyl-pyrrolidin-2-ylideneazanium is sourced from PubChem (CID 123943797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).