1,2-dimethyl-5-methylidenepyrrolidine

C7H13N — CID 20522181

IUPAC1,2-dimethyl-5-methylidenepyrrolidine
SMILESC=C1CCC(C)N1C
InChIInChI=1S/C7H13N/c1-6-4-5-7(2)8(6)3/h7H,1,4-5H2,2-3H3
InChIKeyTXQOKUNGRXFVCD-UHFFFAOYSA-N
MW111.19 g/mol
LogP1.61
Rot. Bonds

About 1,2-dimethyl-5-methylidenepyrrolidine

1,2-dimethyl-5-methylidenepyrrolidine (PubChem CID 20522181) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is 1,2-dimethyl-5-methylidenepyrrolidine.

Molecular Properties

Compound Name1,2-dimethyl-5-methylidenepyrrolidine
PubChem CID20522181
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name1,2-dimethyl-5-methylidenepyrrolidine
SMILESC=C1CCC(C)N1C
InChIInChI=1S/C7H13N/c1-6-4-5-7(2)8(6)3/h7H,1,4-5H2,2-3H3
InChIKeyTXQOKUNGRXFVCD-UHFFFAOYSA-N
XLogP1.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-5-methylidenepyrrolidine?
The IUPAC name of 1,2-dimethyl-5-methylidenepyrrolidine (CID 20522181) is 1,2-dimethyl-5-methylidenepyrrolidine.
What is the SMILES notation for 1,2-dimethyl-5-methylidenepyrrolidine?
The canonical SMILES for 1,2-dimethyl-5-methylidenepyrrolidine is C=C1CCC(C)N1C.
What is the InChIKey of 1,2-dimethyl-5-methylidenepyrrolidine?
The InChIKey is TXQOKUNGRXFVCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N/c1-6-4-5-7(2)8(6)3/h7H,1,4-5H2,2-3H3.
What are the key properties of 1,2-dimethyl-5-methylidenepyrrolidine?
1,2-dimethyl-5-methylidenepyrrolidine has a molecular weight of 111.19 g/mol, XLogP of 1.61, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-5-methylidenepyrrolidine is sourced from PubChem (CID 20522181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).