1,2-dimethyl-5-(prop-1-en-2-yloxymethyl)pyrrolidine

C10H19NO — CID 59438977

IUPAC1,2-dimethyl-5-(prop-1-en-2-yloxymethyl)pyrrolidine
SMILESC=C(C)OCC1CCC(C)N1C
InChIInChI=1S/C10H19NO/c1-8(2)12-7-10-6-5-9(3)11(10)4/h9-10H,1,5-7H2,2-4H3
InChIKeyHIVIZISIZRKLJD-UHFFFAOYSA-N
MW169.27 g/mol
LogP2.02
Rot. Bonds3

About 1,2-dimethyl-5-(prop-1-en-2-yloxymethyl)pyrrolidine

1,2-dimethyl-5-(prop-1-en-2-yloxymethyl)pyrrolidine (PubChem CID 59438977) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 1,2-dimethyl-5-(prop-1-en-2-yloxymethyl)pyrrolidine.

Molecular Properties

Compound Name1,2-dimethyl-5-(prop-1-en-2-yloxymethyl)pyrrolidine
PubChem CID59438977
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name1,2-dimethyl-5-(prop-1-en-2-yloxymethyl)pyrrolidine
SMILESC=C(C)OCC1CCC(C)N1C
InChIInChI=1S/C10H19NO/c1-8(2)12-7-10-6-5-9(3)11(10)4/h9-10H,1,5-7H2,2-4H3
InChIKeyHIVIZISIZRKLJD-UHFFFAOYSA-N
XLogP2.02
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 1,2-dimethyl-5-(prop-1-en-2-yloxymethyl)pyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-5-(prop-1-en-2-yloxymethyl)pyrrolidine?
The IUPAC name of 1,2-dimethyl-5-(prop-1-en-2-yloxymethyl)pyrrolidine (CID 59438977) is 1,2-dimethyl-5-(prop-1-en-2-yloxymethyl)pyrrolidine.
What is the SMILES notation for 1,2-dimethyl-5-(prop-1-en-2-yloxymethyl)pyrrolidine?
The canonical SMILES for 1,2-dimethyl-5-(prop-1-en-2-yloxymethyl)pyrrolidine is C=C(C)OCC1CCC(C)N1C.
What is the InChIKey of 1,2-dimethyl-5-(prop-1-en-2-yloxymethyl)pyrrolidine?
The InChIKey is HIVIZISIZRKLJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-8(2)12-7-10-6-5-9(3)11(10)4/h9-10H,1,5-7H2,2-4H3.
What are the key properties of 1,2-dimethyl-5-(prop-1-en-2-yloxymethyl)pyrrolidine?
1,2-dimethyl-5-(prop-1-en-2-yloxymethyl)pyrrolidine has a molecular weight of 169.27 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-5-(prop-1-en-2-yloxymethyl)pyrrolidine is sourced from PubChem (CID 59438977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).