1-(2,2-dimethyloxan-4-yl)pyrrolidine

C11H21NO — CID 13287495

IUPAC1-(2,2-dimethyloxan-4-yl)pyrrolidine
SMILESCC1(C)CC(N2CCCC2)CCO1
InChIInChI=1S/C11H21NO/c1-11(2)9-10(5-8-13-11)12-6-3-4-7-12/h10H,3-9H2,1-2H3
InChIKeyHDFFEAMJVXDNAF-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.04
Rot. Bonds1

About 1-(2,2-dimethyloxan-4-yl)pyrrolidine

1-(2,2-dimethyloxan-4-yl)pyrrolidine (PubChem CID 13287495) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 1-(2,2-dimethyloxan-4-yl)pyrrolidine.

Molecular Properties

Compound Name1-(2,2-dimethyloxan-4-yl)pyrrolidine
PubChem CID13287495
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name1-(2,2-dimethyloxan-4-yl)pyrrolidine
SMILESCC1(C)CC(N2CCCC2)CCO1
InChIInChI=1S/C11H21NO/c1-11(2)9-10(5-8-13-11)12-6-3-4-7-12/h10H,3-9H2,1-2H3
InChIKeyHDFFEAMJVXDNAF-UHFFFAOYSA-N
XLogP2.04
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2,2-dimethyloxan-4-yl)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-(2,2-dimethyloxan-4-yl)pyrrolidine?
The IUPAC name of 1-(2,2-dimethyloxan-4-yl)pyrrolidine (CID 13287495) is 1-(2,2-dimethyloxan-4-yl)pyrrolidine.
What is the SMILES notation for 1-(2,2-dimethyloxan-4-yl)pyrrolidine?
The canonical SMILES for 1-(2,2-dimethyloxan-4-yl)pyrrolidine is CC1(C)CC(N2CCCC2)CCO1.
What is the InChIKey of 1-(2,2-dimethyloxan-4-yl)pyrrolidine?
The InChIKey is HDFFEAMJVXDNAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-11(2)9-10(5-8-13-11)12-6-3-4-7-12/h10H,3-9H2,1-2H3.
What are the key properties of 1-(2,2-dimethyloxan-4-yl)pyrrolidine?
1-(2,2-dimethyloxan-4-yl)pyrrolidine has a molecular weight of 183.29 g/mol, XLogP of 2.04, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethyloxan-4-yl)pyrrolidine is sourced from PubChem (CID 13287495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).