1-(6-methylhept-5-en-2-ylidene)pyrrolidin-1-ium

C12H22N+ — CID 102353499

IUPAC1-(6-methylhept-5-en-2-ylidene)pyrrolidin-1-ium
SMILESCC(C)=CCCC(C)=[N+]1CCCC1
InChIInChI=1S/C12H22N/c1-11(2)7-6-8-12(3)13-9-4-5-10-13/h7H,4-6,8-10H2,1-3H3/q+1
InChIKeyAEJIWAYXUQDXOJ-UHFFFAOYSA-N
MW180.31 g/mol
LogP3.00
Rot. Bonds3

About 1-(6-methylhept-5-en-2-ylidene)pyrrolidin-1-ium

1-(6-methylhept-5-en-2-ylidene)pyrrolidin-1-ium (PubChem CID 102353499) has the molecular formula C12H22N+ and a molecular weight of 180.31 g/mol. Its IUPAC name is 1-(6-methylhept-5-en-2-ylidene)pyrrolidin-1-ium.

Molecular Properties

Compound Name1-(6-methylhept-5-en-2-ylidene)pyrrolidin-1-ium
PubChem CID102353499
Molecular FormulaC12H22N+
Molecular Weight180.31 g/mol
Exact Mass180.17
IUPAC Name1-(6-methylhept-5-en-2-ylidene)pyrrolidin-1-ium
SMILESCC(C)=CCCC(C)=[N+]1CCCC1
InChIInChI=1S/C12H22N/c1-11(2)7-6-8-12(3)13-9-4-5-10-13/h7H,4-6,8-10H2,1-3H3/q+1
InChIKeyAEJIWAYXUQDXOJ-UHFFFAOYSA-N
XLogP3.00
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.31
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(6-methylhept-5-enyl)-3,4-dihydro-2H-pyrrol-1-ium
CID 134837657
1-Cyclopent-2-en-1-ylidenepyrrolidin-1-ium
CID 135033014
1-(6-Methylhept-5-en-2-yl)pyrrolidine
CID 59305564
1-[(2S)-6-methylhept-5-en-2-yl]pyrrolidine
CID 143654248
(5Z)-N,6-dimethyl-1-pyrrolidin-1-ylocta-5,7-dien-4-imine
CID 157028512
4-ethyl-N-methyl-6-propan-2-ylidene-3-(pyrrolidin-1-ylmethyl)cyclohexa-2,4-dien-1-imine
CID 169936818
1-Cyclohex-2-en-1-ylidenepyrrolidin-1-ium
CID 102044419
1-Hex-5-en-2-ylidenepyrrolidin-1-ium
CID 102353498
(4Z)-N,1,5-trimethyl-4-propylidenepyrrolidin-3-imine
CID 166131563

Frequently Asked Questions

What is the IUPAC name of 1-(6-methylhept-5-en-2-ylidene)pyrrolidin-1-ium?
The IUPAC name of 1-(6-methylhept-5-en-2-ylidene)pyrrolidin-1-ium (CID 102353499) is 1-(6-methylhept-5-en-2-ylidene)pyrrolidin-1-ium.
What is the SMILES notation for 1-(6-methylhept-5-en-2-ylidene)pyrrolidin-1-ium?
The canonical SMILES for 1-(6-methylhept-5-en-2-ylidene)pyrrolidin-1-ium is CC(C)=CCCC(C)=[N+]1CCCC1.
What is the InChIKey of 1-(6-methylhept-5-en-2-ylidene)pyrrolidin-1-ium?
The InChIKey is AEJIWAYXUQDXOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N/c1-11(2)7-6-8-12(3)13-9-4-5-10-13/h7H,4-6,8-10H2,1-3H3/q+1.
What are the key properties of 1-(6-methylhept-5-en-2-ylidene)pyrrolidin-1-ium?
1-(6-methylhept-5-en-2-ylidene)pyrrolidin-1-ium has a molecular weight of 180.31 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methylhept-5-en-2-ylidene)pyrrolidin-1-ium is sourced from PubChem (CID 102353499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).