methyl-methylidene-[(1Z,3E)-3-pyrrolidin-1-ylpenta-1,3-dienyl]azanium

C11H19N2+ — CID 142839008

IUPACmethyl-methylidene-[(1Z,3E)-3-pyrrolidin-1-ylpenta-1,3-dienyl]azanium
SMILESC=[N+](C)/C=C\C(=C/C)N1CCCC1
InChIInChI=1S/C11H19N2/c1-4-11(7-10-12(2)3)13-8-5-6-9-13/h4,7,10H,2,5-6,8-9H2,1,3H3/q+1/b10-7-,11-4+
InChIKeyZXUSYGIXLBQGKU-JXNHZPGASA-N
MW179.29 g/mol
LogP1.84
Rot. Bonds3

About methyl-methylidene-[(1Z,3E)-3-pyrrolidin-1-ylpenta-1,3-dienyl]azanium

methyl-methylidene-[(1Z,3E)-3-pyrrolidin-1-ylpenta-1,3-dienyl]azanium (PubChem CID 142839008) has the molecular formula C11H19N2+ and a molecular weight of 179.29 g/mol. Its IUPAC name is methyl-methylidene-[(1Z,3E)-3-pyrrolidin-1-ylpenta-1,3-dienyl]azanium.

Molecular Properties

Compound Namemethyl-methylidene-[(1Z,3E)-3-pyrrolidin-1-ylpenta-1,3-dienyl]azanium
PubChem CID142839008
Molecular FormulaC11H19N2+
Molecular Weight179.29 g/mol
Exact Mass179.15
IUPAC Namemethyl-methylidene-[(1Z,3E)-3-pyrrolidin-1-ylpenta-1,3-dienyl]azanium
SMILESC=[N+](C)/C=C\C(=C/C)N1CCCC1
InChIInChI=1S/C11H19N2/c1-4-11(7-10-12(2)3)13-8-5-6-9-13/h4,7,10H,2,5-6,8-9H2,1,3H3/q+1/b10-7-,11-4+
InChIKeyZXUSYGIXLBQGKU-JXNHZPGASA-N
XLogP1.84
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.29
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl-methylidene-[(1Z,3E)-3-pyrrolidin-1-ylpenta-1,3-dienyl]azanium?
The IUPAC name of methyl-methylidene-[(1Z,3E)-3-pyrrolidin-1-ylpenta-1,3-dienyl]azanium (CID 142839008) is methyl-methylidene-[(1Z,3E)-3-pyrrolidin-1-ylpenta-1,3-dienyl]azanium.
What is the SMILES notation for methyl-methylidene-[(1Z,3E)-3-pyrrolidin-1-ylpenta-1,3-dienyl]azanium?
The canonical SMILES for methyl-methylidene-[(1Z,3E)-3-pyrrolidin-1-ylpenta-1,3-dienyl]azanium is C=[N+](C)/C=C\C(=C/C)N1CCCC1.
What is the InChIKey of methyl-methylidene-[(1Z,3E)-3-pyrrolidin-1-ylpenta-1,3-dienyl]azanium?
The InChIKey is ZXUSYGIXLBQGKU-JXNHZPGASA-N. The full InChI is InChI=1S/C11H19N2/c1-4-11(7-10-12(2)3)13-8-5-6-9-13/h4,7,10H,2,5-6,8-9H2,1,3H3/q+1/b10-7-,11-4+.
What are the key properties of methyl-methylidene-[(1Z,3E)-3-pyrrolidin-1-ylpenta-1,3-dienyl]azanium?
methyl-methylidene-[(1Z,3E)-3-pyrrolidin-1-ylpenta-1,3-dienyl]azanium has a molecular weight of 179.29 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-methylidene-[(1Z,3E)-3-pyrrolidin-1-ylpenta-1,3-dienyl]azanium is sourced from PubChem (CID 142839008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).