propyl 1-(cyclohexanecarbonyl)pyrrolidine-2-carboxylate

C15H25NO3 — CID 91695510

IUPACpropyl 1-(cyclohexanecarbonyl)pyrrolidine-2-carboxylate
SMILESCCCOC(=O)C1CCCN1C(=O)C1CCCCC1
InChIInChI=1S/C15H25NO3/c1-2-11-19-15(18)13-9-6-10-16(13)14(17)12-7-4-3-5-8-12/h12-13H,2-11H2,1H3
InChIKeyQETGCPZUGOSFIL-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.51
Rot. Bonds4

About propyl 1-(cyclohexanecarbonyl)pyrrolidine-2-carboxylate

propyl 1-(cyclohexanecarbonyl)pyrrolidine-2-carboxylate (PubChem CID 91695510) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is propyl 1-(cyclohexanecarbonyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namepropyl 1-(cyclohexanecarbonyl)pyrrolidine-2-carboxylate
PubChem CID91695510
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Namepropyl 1-(cyclohexanecarbonyl)pyrrolidine-2-carboxylate
SMILESCCCOC(=O)C1CCCN1C(=O)C1CCCCC1
InChIInChI=1S/C15H25NO3/c1-2-11-19-15(18)13-9-6-10-16(13)14(17)12-7-4-3-5-8-12/h12-13H,2-11H2,1H3
InChIKeyQETGCPZUGOSFIL-UHFFFAOYSA-N
XLogP2.51
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propyl 1-(cyclohexanecarbonyl)pyrrolidine-2-carboxylate?
The IUPAC name of propyl 1-(cyclohexanecarbonyl)pyrrolidine-2-carboxylate (CID 91695510) is propyl 1-(cyclohexanecarbonyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for propyl 1-(cyclohexanecarbonyl)pyrrolidine-2-carboxylate?
The canonical SMILES for propyl 1-(cyclohexanecarbonyl)pyrrolidine-2-carboxylate is CCCOC(=O)C1CCCN1C(=O)C1CCCCC1.
What is the InChIKey of propyl 1-(cyclohexanecarbonyl)pyrrolidine-2-carboxylate?
The InChIKey is QETGCPZUGOSFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-2-11-19-15(18)13-9-6-10-16(13)14(17)12-7-4-3-5-8-12/h12-13H,2-11H2,1H3.
What are the key properties of propyl 1-(cyclohexanecarbonyl)pyrrolidine-2-carboxylate?
propyl 1-(cyclohexanecarbonyl)pyrrolidine-2-carboxylate has a molecular weight of 267.37 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 1-(cyclohexanecarbonyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 91695510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).