3,4-dimethylidene-1-prop-2-enylpyrrolidine

C9H13N — CID 10964567

IUPAC3,4-dimethylidene-1-prop-2-enylpyrrolidine
SMILESC=CCN1CC(=C)C(=C)C1
InChIInChI=1S/C9H13N/c1-4-5-10-6-8(2)9(3)7-10/h4H,1-3,5-7H2
InChIKeyLSLJMKSDHJVIDC-UHFFFAOYSA-N
MW135.21 g/mol
LogP1.60
Rot. Bonds2

About 3,4-dimethylidene-1-prop-2-enylpyrrolidine

3,4-dimethylidene-1-prop-2-enylpyrrolidine (PubChem CID 10964567) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is 3,4-dimethylidene-1-prop-2-enylpyrrolidine.

Molecular Properties

Compound Name3,4-dimethylidene-1-prop-2-enylpyrrolidine
PubChem CID10964567
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name3,4-dimethylidene-1-prop-2-enylpyrrolidine
SMILESC=CCN1CC(=C)C(=C)C1
InChIInChI=1S/C9H13N/c1-4-5-10-6-8(2)9(3)7-10/h4H,1-3,5-7H2
InChIKeyLSLJMKSDHJVIDC-UHFFFAOYSA-N
XLogP1.60
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 ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethylidene-1-prop-2-enylpyrrolidine?
The IUPAC name of 3,4-dimethylidene-1-prop-2-enylpyrrolidine (CID 10964567) is 3,4-dimethylidene-1-prop-2-enylpyrrolidine.
What is the SMILES notation for 3,4-dimethylidene-1-prop-2-enylpyrrolidine?
The canonical SMILES for 3,4-dimethylidene-1-prop-2-enylpyrrolidine is C=CCN1CC(=C)C(=C)C1.
What is the InChIKey of 3,4-dimethylidene-1-prop-2-enylpyrrolidine?
The InChIKey is LSLJMKSDHJVIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N/c1-4-5-10-6-8(2)9(3)7-10/h4H,1-3,5-7H2.
What are the key properties of 3,4-dimethylidene-1-prop-2-enylpyrrolidine?
3,4-dimethylidene-1-prop-2-enylpyrrolidine has a molecular weight of 135.21 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethylidene-1-prop-2-enylpyrrolidine is sourced from PubChem (CID 10964567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).