2-cyclohexylpropan-2-yl pyrrolidine-1-carboxylate

C14H25NO2 — CID 59148788

IUPAC2-cyclohexylpropan-2-yl pyrrolidine-1-carboxylate
SMILESCC(C)(OC(=O)N1CCCC1)C1CCCCC1
InChIInChI=1S/C14H25NO2/c1-14(2,12-8-4-3-5-9-12)17-13(16)15-10-6-7-11-15/h12H,3-11H2,1-2H3
InChIKeyLYGSUXYPVPETHQ-UHFFFAOYSA-N
MW239.36 g/mol
LogP3.58
Rot. Bonds2

About 2-cyclohexylpropan-2-yl pyrrolidine-1-carboxylate

2-cyclohexylpropan-2-yl pyrrolidine-1-carboxylate (PubChem CID 59148788) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-cyclohexylpropan-2-yl pyrrolidine-1-carboxylate.

Molecular Properties

Compound Name2-cyclohexylpropan-2-yl pyrrolidine-1-carboxylate
PubChem CID59148788
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name2-cyclohexylpropan-2-yl pyrrolidine-1-carboxylate
SMILESCC(C)(OC(=O)N1CCCC1)C1CCCCC1
InChIInChI=1S/C14H25NO2/c1-14(2,12-8-4-3-5-9-12)17-13(16)15-10-6-7-11-15/h12H,3-11H2,1-2H3
InChIKeyLYGSUXYPVPETHQ-UHFFFAOYSA-N
XLogP3.58
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylpropan-2-yl pyrrolidine-1-carboxylate?
The IUPAC name of 2-cyclohexylpropan-2-yl pyrrolidine-1-carboxylate (CID 59148788) is 2-cyclohexylpropan-2-yl pyrrolidine-1-carboxylate.
What is the SMILES notation for 2-cyclohexylpropan-2-yl pyrrolidine-1-carboxylate?
The canonical SMILES for 2-cyclohexylpropan-2-yl pyrrolidine-1-carboxylate is CC(C)(OC(=O)N1CCCC1)C1CCCCC1.
What is the InChIKey of 2-cyclohexylpropan-2-yl pyrrolidine-1-carboxylate?
The InChIKey is LYGSUXYPVPETHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-14(2,12-8-4-3-5-9-12)17-13(16)15-10-6-7-11-15/h12H,3-11H2,1-2H3.
What are the key properties of 2-cyclohexylpropan-2-yl pyrrolidine-1-carboxylate?
2-cyclohexylpropan-2-yl pyrrolidine-1-carboxylate has a molecular weight of 239.36 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylpropan-2-yl pyrrolidine-1-carboxylate is sourced from PubChem (CID 59148788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).