(2R)-8-(2,2-dimethylpropyl)-2-methoxy-7-methylidene-2,3,5,6-tetrahydro-1H-pyrrolizine

C14H25NO — CID 176778357

IUPAC(2R)-8-(2,2-dimethylpropyl)-2-methoxy-7-methylidene-2,3,5,6-tetrahydro-1H-pyrrolizine
SMILESC=C1CCN2C[C@H](OC)CC12CC(C)(C)C
InChIInChI=1S/C14H25NO/c1-11-6-7-15-9-12(16-5)8-14(11,15)10-13(2,3)4/h12H,1,6-10H2,2-5H3/t12-,14?/m1/s1
InChIKeyHDFILFZCKDUHRM-PUODRLBUSA-N
MW223.36 g/mol
LogP2.84
Rot. Bonds2

About (2R)-8-(2,2-dimethylpropyl)-2-methoxy-7-methylidene-2,3,5,6-tetrahydro-1H-pyrrolizine

(2R)-8-(2,2-dimethylpropyl)-2-methoxy-7-methylidene-2,3,5,6-tetrahydro-1H-pyrrolizine (PubChem CID 176778357) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is (2R)-8-(2,2-dimethylpropyl)-2-methoxy-7-methylidene-2,3,5,6-tetrahydro-1H-pyrrolizine.

Molecular Properties

Compound Name(2R)-8-(2,2-dimethylpropyl)-2-methoxy-7-methylidene-2,3,5,6-tetrahydro-1H-pyrrolizine
PubChem CID176778357
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name(2R)-8-(2,2-dimethylpropyl)-2-methoxy-7-methylidene-2,3,5,6-tetrahydro-1H-pyrrolizine
SMILESC=C1CCN2C[C@H](OC)CC12CC(C)(C)C
InChIInChI=1S/C14H25NO/c1-11-6-7-15-9-12(16-5)8-14(11,15)10-13(2,3)4/h12H,1,6-10H2,2-5H3/t12-,14?/m1/s1
InChIKeyHDFILFZCKDUHRM-PUODRLBUSA-N
XLogP2.84
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2R)-8-(2,2-dimethylpropyl)-2-methoxy-7-methylidene-2,3,5,6-tetrahydro-1H-pyrrolizine 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 (2R)-8-(2,2-dimethylpropyl)-2-methoxy-7-methylidene-2,3,5,6-tetrahydro-1H-pyrrolizine?
The IUPAC name of (2R)-8-(2,2-dimethylpropyl)-2-methoxy-7-methylidene-2,3,5,6-tetrahydro-1H-pyrrolizine (CID 176778357) is (2R)-8-(2,2-dimethylpropyl)-2-methoxy-7-methylidene-2,3,5,6-tetrahydro-1H-pyrrolizine.
What is the SMILES notation for (2R)-8-(2,2-dimethylpropyl)-2-methoxy-7-methylidene-2,3,5,6-tetrahydro-1H-pyrrolizine?
The canonical SMILES for (2R)-8-(2,2-dimethylpropyl)-2-methoxy-7-methylidene-2,3,5,6-tetrahydro-1H-pyrrolizine is C=C1CCN2C[C@H](OC)CC12CC(C)(C)C.
What is the InChIKey of (2R)-8-(2,2-dimethylpropyl)-2-methoxy-7-methylidene-2,3,5,6-tetrahydro-1H-pyrrolizine?
The InChIKey is HDFILFZCKDUHRM-PUODRLBUSA-N. The full InChI is InChI=1S/C14H25NO/c1-11-6-7-15-9-12(16-5)8-14(11,15)10-13(2,3)4/h12H,1,6-10H2,2-5H3/t12-,14?/m1/s1.
What are the key properties of (2R)-8-(2,2-dimethylpropyl)-2-methoxy-7-methylidene-2,3,5,6-tetrahydro-1H-pyrrolizine?
(2R)-8-(2,2-dimethylpropyl)-2-methoxy-7-methylidene-2,3,5,6-tetrahydro-1H-pyrrolizine has a molecular weight of 223.36 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-8-(2,2-dimethylpropyl)-2-methoxy-7-methylidene-2,3,5,6-tetrahydro-1H-pyrrolizine is sourced from PubChem (CID 176778357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).