1,2-dimethyl-2-prop-2-enylpyrrolidine

C9H17N — CID 58293407

IUPAC1,2-dimethyl-2-prop-2-enylpyrrolidine
SMILESC=CCC1(C)CCCN1C
InChIInChI=1S/C9H17N/c1-4-6-9(2)7-5-8-10(9)3/h4H,1,5-8H2,2-3H3
InChIKeyZULJVBMKWWEXNZ-UHFFFAOYSA-N
MW139.24 g/mol
LogP2.05
Rot. Bonds2

About 1,2-dimethyl-2-prop-2-enylpyrrolidine

1,2-dimethyl-2-prop-2-enylpyrrolidine (PubChem CID 58293407) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 1,2-dimethyl-2-prop-2-enylpyrrolidine.

Molecular Properties

Compound Name1,2-dimethyl-2-prop-2-enylpyrrolidine
PubChem CID58293407
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name1,2-dimethyl-2-prop-2-enylpyrrolidine
SMILESC=CCC1(C)CCCN1C
InChIInChI=1S/C9H17N/c1-4-6-9(2)7-5-8-10(9)3/h4H,1,5-8H2,2-3H3
InChIKeyZULJVBMKWWEXNZ-UHFFFAOYSA-N
XLogP2.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.05
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 1,2-dimethyl-2-prop-2-enylpyrrolidine?
The IUPAC name of 1,2-dimethyl-2-prop-2-enylpyrrolidine (CID 58293407) is 1,2-dimethyl-2-prop-2-enylpyrrolidine.
What is the SMILES notation for 1,2-dimethyl-2-prop-2-enylpyrrolidine?
The canonical SMILES for 1,2-dimethyl-2-prop-2-enylpyrrolidine is C=CCC1(C)CCCN1C.
What is the InChIKey of 1,2-dimethyl-2-prop-2-enylpyrrolidine?
The InChIKey is ZULJVBMKWWEXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-4-6-9(2)7-5-8-10(9)3/h4H,1,5-8H2,2-3H3.
What are the key properties of 1,2-dimethyl-2-prop-2-enylpyrrolidine?
1,2-dimethyl-2-prop-2-enylpyrrolidine has a molecular weight of 139.24 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-2-prop-2-enylpyrrolidine is sourced from PubChem (CID 58293407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).