2-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)propan-2-yl pyrrolidine-1-carboxylate

C19H33NO2 — CID 66827346

IUPAC2-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)propan-2-yl pyrrolidine-1-carboxylate
SMILESCC1CC2CC(C1)CC(C)(C(C)(C)OC(=O)N1CCCC1)C2
InChIInChI=1S/C19H33NO2/c1-14-9-15-11-16(10-14)13-19(4,12-15)18(2,3)22-17(21)20-7-5-6-8-20/h14-16H,5-13H2,1-4H3
InChIKeySVRFABFNSLJVPX-UHFFFAOYSA-N
MW307.48 g/mol
LogP4.85
Rot. Bonds2

About 2-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)propan-2-yl pyrrolidine-1-carboxylate

2-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)propan-2-yl pyrrolidine-1-carboxylate (PubChem CID 66827346) has the molecular formula C19H33NO2 and a molecular weight of 307.48 g/mol. Its IUPAC name is 2-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)propan-2-yl pyrrolidine-1-carboxylate.

Molecular Properties

Compound Name2-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)propan-2-yl pyrrolidine-1-carboxylate
PubChem CID66827346
Molecular FormulaC19H33NO2
Molecular Weight307.48 g/mol
Exact Mass307.25
IUPAC Name2-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)propan-2-yl pyrrolidine-1-carboxylate
SMILESCC1CC2CC(C1)CC(C)(C(C)(C)OC(=O)N1CCCC1)C2
InChIInChI=1S/C19H33NO2/c1-14-9-15-11-16(10-14)13-19(4,12-15)18(2,3)22-17(21)20-7-5-6-8-20/h14-16H,5-13H2,1-4H3
InChIKeySVRFABFNSLJVPX-UHFFFAOYSA-N
XLogP4.85
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.48
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)propan-2-yl pyrrolidine-1-carboxylate 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 2-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)propan-2-yl pyrrolidine-1-carboxylate?
The IUPAC name of 2-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)propan-2-yl pyrrolidine-1-carboxylate (CID 66827346) is 2-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)propan-2-yl pyrrolidine-1-carboxylate.
What is the SMILES notation for 2-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)propan-2-yl pyrrolidine-1-carboxylate?
The canonical SMILES for 2-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)propan-2-yl pyrrolidine-1-carboxylate is CC1CC2CC(C1)CC(C)(C(C)(C)OC(=O)N1CCCC1)C2.
What is the InChIKey of 2-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)propan-2-yl pyrrolidine-1-carboxylate?
The InChIKey is SVRFABFNSLJVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO2/c1-14-9-15-11-16(10-14)13-19(4,12-15)18(2,3)22-17(21)20-7-5-6-8-20/h14-16H,5-13H2,1-4H3.
What are the key properties of 2-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)propan-2-yl pyrrolidine-1-carboxylate?
2-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)propan-2-yl pyrrolidine-1-carboxylate has a molecular weight of 307.48 g/mol, XLogP of 4.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)propan-2-yl pyrrolidine-1-carboxylate is sourced from PubChem (CID 66827346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).