methyl 1-[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylate

C16H26N2O3 — CID 62027856

IUPACmethyl 1-[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylate
SMILESCCN(C(=O)CN1CCCC1C(=O)OC)C1=CCCCC1
InChIInChI=1S/C16H26N2O3/c1-3-18(13-8-5-4-6-9-13)15(19)12-17-11-7-10-14(17)16(20)21-2/h8,14H,3-7,9-12H2,1-2H3
InChIKeyYYHXKSGUXOXHJH-UHFFFAOYSA-N
MW294.39 g/mol
LogP1.93
Rot. Bonds5

About methyl 1-[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylate

methyl 1-[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylate (PubChem CID 62027856) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is methyl 1-[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylate
PubChem CID62027856
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Namemethyl 1-[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylate
SMILESCCN(C(=O)CN1CCCC1C(=O)OC)C1=CCCCC1
InChIInChI=1S/C16H26N2O3/c1-3-18(13-8-5-4-6-9-13)15(19)12-17-11-7-10-14(17)16(20)21-2/h8,14H,3-7,9-12H2,1-2H3
InChIKeyYYHXKSGUXOXHJH-UHFFFAOYSA-N
XLogP1.93
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylate (CID 62027856) is methyl 1-[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylate is CCN(C(=O)CN1CCCC1C(=O)OC)C1=CCCCC1.
What is the InChIKey of methyl 1-[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylate?
The InChIKey is YYHXKSGUXOXHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-3-18(13-8-5-4-6-9-13)15(19)12-17-11-7-10-14(17)16(20)21-2/h8,14H,3-7,9-12H2,1-2H3.
What are the key properties of methyl 1-[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylate?
methyl 1-[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylate has a molecular weight of 294.39 g/mol, XLogP of 1.93, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 62027856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).