2-cycloheptylpropan-2-yl 2-oxopyrrolidine-1-carboxylate

C15H25NO3 — CID 123751962

IUPAC2-cycloheptylpropan-2-yl 2-oxopyrrolidine-1-carboxylate
SMILESCC(C)(OC(=O)N1CCCC1=O)C1CCCCCC1
InChIInChI=1S/C15H25NO3/c1-15(2,12-8-5-3-4-6-9-12)19-14(18)16-11-7-10-13(16)17/h12H,3-11H2,1-2H3
InChIKeyXUPGIQKHSGKZRY-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.49
Rot. Bonds2

About 2-cycloheptylpropan-2-yl 2-oxopyrrolidine-1-carboxylate

2-cycloheptylpropan-2-yl 2-oxopyrrolidine-1-carboxylate (PubChem CID 123751962) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-cycloheptylpropan-2-yl 2-oxopyrrolidine-1-carboxylate.

Molecular Properties

Compound Name2-cycloheptylpropan-2-yl 2-oxopyrrolidine-1-carboxylate
PubChem CID123751962
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name2-cycloheptylpropan-2-yl 2-oxopyrrolidine-1-carboxylate
SMILESCC(C)(OC(=O)N1CCCC1=O)C1CCCCCC1
InChIInChI=1S/C15H25NO3/c1-15(2,12-8-5-3-4-6-9-12)19-14(18)16-11-7-10-13(16)17/h12H,3-11H2,1-2H3
InChIKeyXUPGIQKHSGKZRY-UHFFFAOYSA-N
XLogP3.49
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-cycloheptylpropan-2-yl 2-oxopyrrolidine-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

Related Compounds

2-cyclohexylpropan-2-yl piperidine-1-carboxylate
CID 59148790
tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;tert-butyl 2-oxopyrrolidine-1-carboxylate
CID 157302779
3-ethylpentan-3-yl 2-oxopyrrolidine-1-carboxylate
CID 59148760
3-[(2S)-2-methylcyclohexyl]pentan-3-yl 2-oxopyrrolidine-1-carboxylate
CID 89484278
2-cyclohexylpropan-2-yl hydroxy carbonate
CID 23207841
1-acetylazonan-2-one
CID 19035113
2-cycloheptylpropan-2-yl 2-methylprop-2-enoate
CID 139975270
tert-butyl 2-oxo-5-propylazepane-1-carboxylate
CID 25116621
propyl 2-oxopyrrolidine-1-carboxylate
CID 54526452
tert-butyl 3-bromo-2-oxopiperidine-1-carboxylate
CID 86276594
(5-methyl-2-propan-2-ylcyclohexyl) 2-oxopyrrolidine-1-carboxylate
CID 22044534
1-acetylazepan-2-one;methane
CID 158348937

Frequently Asked Questions

What is the IUPAC name of 2-cycloheptylpropan-2-yl 2-oxopyrrolidine-1-carboxylate?
The IUPAC name of 2-cycloheptylpropan-2-yl 2-oxopyrrolidine-1-carboxylate (CID 123751962) is 2-cycloheptylpropan-2-yl 2-oxopyrrolidine-1-carboxylate.
What is the SMILES notation for 2-cycloheptylpropan-2-yl 2-oxopyrrolidine-1-carboxylate?
The canonical SMILES for 2-cycloheptylpropan-2-yl 2-oxopyrrolidine-1-carboxylate is CC(C)(OC(=O)N1CCCC1=O)C1CCCCCC1.
What is the InChIKey of 2-cycloheptylpropan-2-yl 2-oxopyrrolidine-1-carboxylate?
The InChIKey is XUPGIQKHSGKZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-15(2,12-8-5-3-4-6-9-12)19-14(18)16-11-7-10-13(16)17/h12H,3-11H2,1-2H3.
What are the key properties of 2-cycloheptylpropan-2-yl 2-oxopyrrolidine-1-carboxylate?
2-cycloheptylpropan-2-yl 2-oxopyrrolidine-1-carboxylate has a molecular weight of 267.37 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptylpropan-2-yl 2-oxopyrrolidine-1-carboxylate is sourced from PubChem (CID 123751962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).