2,5-dimethylidene-1-prop-2-enylpyrrolidine

C9H13N — CID 144985086

IUPAC2,5-dimethylidene-1-prop-2-enylpyrrolidine
SMILESC=CCN1C(=C)CCC1=C
InChIInChI=1S/C9H13N/c1-4-7-10-8(2)5-6-9(10)3/h4H,1-3,5-7H2
InChIKeyMOGLMXNYKHUGAG-UHFFFAOYSA-N
MW135.21 g/mol
LogP2.30
Rot. Bonds2

About 2,5-dimethylidene-1-prop-2-enylpyrrolidine

2,5-dimethylidene-1-prop-2-enylpyrrolidine (PubChem CID 144985086) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is 2,5-dimethylidene-1-prop-2-enylpyrrolidine.

Molecular Properties

Compound Name2,5-dimethylidene-1-prop-2-enylpyrrolidine
PubChem CID144985086
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name2,5-dimethylidene-1-prop-2-enylpyrrolidine
SMILESC=CCN1C(=C)CCC1=C
InChIInChI=1S/C9H13N/c1-4-7-10-8(2)5-6-9(10)3/h4H,1-3,5-7H2
InChIKeyMOGLMXNYKHUGAG-UHFFFAOYSA-N
XLogP2.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Pyrrolidine, 1-(1-pentenyl)-
CID 5370211
1-But-1-en-2-ylpyrrolidine
CID 12571418
Pyrrolidine, 2-methylene-1-(2-propenyl)-(9CI)
CID 21677163
Divinyl pyrrolidine
CID 121376496
2-Methylidene-1-pent-4-enylpyrrolidine
CID 21677164
1-Pent-1-enylpyrrolidine
CID 573644
1-Pent-1-en-2-ylpyrrolidine
CID 10986309
1-[(1E)-penta-1,4-dienyl]pyrrolidine
CID 13254195
2-Methylidene-1-propan-2-ylpyrrolidine
CID 18714689
1-Butan-2-yl-2-methylidenepyrrolidine
CID 18731732
1-Methyl-2-methylidenepyrrolidine
CID 20522182
(2E)-1-methyl-2-propylidenepyrrolidine
CID 20622739

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylidene-1-prop-2-enylpyrrolidine?
The IUPAC name of 2,5-dimethylidene-1-prop-2-enylpyrrolidine (CID 144985086) is 2,5-dimethylidene-1-prop-2-enylpyrrolidine.
What is the SMILES notation for 2,5-dimethylidene-1-prop-2-enylpyrrolidine?
The canonical SMILES for 2,5-dimethylidene-1-prop-2-enylpyrrolidine is C=CCN1C(=C)CCC1=C.
What is the InChIKey of 2,5-dimethylidene-1-prop-2-enylpyrrolidine?
The InChIKey is MOGLMXNYKHUGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N/c1-4-7-10-8(2)5-6-9(10)3/h4H,1-3,5-7H2.
What are the key properties of 2,5-dimethylidene-1-prop-2-enylpyrrolidine?
2,5-dimethylidene-1-prop-2-enylpyrrolidine has a molecular weight of 135.21 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethylidene-1-prop-2-enylpyrrolidine is sourced from PubChem (CID 144985086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).