methyl 1-(cyclohexylmethyl)pyrrolidine-2-carboxylate

C13H23NO2 — CID 62027470

IUPACmethyl 1-(cyclohexylmethyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1CC1CCCCC1
InChIInChI=1S/C13H23NO2/c1-16-13(15)12-8-5-9-14(12)10-11-6-3-2-4-7-11/h11-12H,2-10H2,1H3
InChIKeyOVSRZYIOZJGUQV-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.20
Rot. Bonds3

About methyl 1-(cyclohexylmethyl)pyrrolidine-2-carboxylate

methyl 1-(cyclohexylmethyl)pyrrolidine-2-carboxylate (PubChem CID 62027470) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is methyl 1-(cyclohexylmethyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(cyclohexylmethyl)pyrrolidine-2-carboxylate
PubChem CID62027470
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Namemethyl 1-(cyclohexylmethyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1CC1CCCCC1
InChIInChI=1S/C13H23NO2/c1-16-13(15)12-8-5-9-14(12)10-11-6-3-2-4-7-11/h11-12H,2-10H2,1H3
InChIKeyOVSRZYIOZJGUQV-UHFFFAOYSA-N
XLogP2.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(cyclohexylmethyl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-(cyclohexylmethyl)pyrrolidine-2-carboxylate (CID 62027470) is methyl 1-(cyclohexylmethyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-(cyclohexylmethyl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-(cyclohexylmethyl)pyrrolidine-2-carboxylate is COC(=O)C1CCCN1CC1CCCCC1.
What is the InChIKey of methyl 1-(cyclohexylmethyl)pyrrolidine-2-carboxylate?
The InChIKey is OVSRZYIOZJGUQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-16-13(15)12-8-5-9-14(12)10-11-6-3-2-4-7-11/h11-12H,2-10H2,1H3.
What are the key properties of methyl 1-(cyclohexylmethyl)pyrrolidine-2-carboxylate?
methyl 1-(cyclohexylmethyl)pyrrolidine-2-carboxylate has a molecular weight of 225.33 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(cyclohexylmethyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 62027470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).