methyl 1-(4-methoxycyclohexa-2,4-diene-1-carbonyl)pyrrolidine-3-carboxylate

C14H19NO4 — CID 171833297

IUPACmethyl 1-(4-methoxycyclohexa-2,4-diene-1-carbonyl)pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CCN(C(=O)C2C=CC(OC)=CC2)C1
InChIInChI=1S/C14H19NO4/c1-18-12-5-3-10(4-6-12)13(16)15-8-7-11(9-15)14(17)19-2/h3,5-6,10-11H,4,7-9H2,1-2H3
InChIKeyNUGNGZSTKXKHQU-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.11
Rot. Bonds3

About methyl 1-(4-methoxycyclohexa-2,4-diene-1-carbonyl)pyrrolidine-3-carboxylate

methyl 1-(4-methoxycyclohexa-2,4-diene-1-carbonyl)pyrrolidine-3-carboxylate (PubChem CID 171833297) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is methyl 1-(4-methoxycyclohexa-2,4-diene-1-carbonyl)pyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4-methoxycyclohexa-2,4-diene-1-carbonyl)pyrrolidine-3-carboxylate
PubChem CID171833297
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Namemethyl 1-(4-methoxycyclohexa-2,4-diene-1-carbonyl)pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CCN(C(=O)C2C=CC(OC)=CC2)C1
InChIInChI=1S/C14H19NO4/c1-18-12-5-3-10(4-6-12)13(16)15-8-7-11(9-15)14(17)19-2/h3,5-6,10-11H,4,7-9H2,1-2H3
InChIKeyNUGNGZSTKXKHQU-UHFFFAOYSA-N
XLogP1.11
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(4-methoxycyclohexa-2,4-diene-1-carbonyl)pyrrolidine-3-carboxylate?
The IUPAC name of methyl 1-(4-methoxycyclohexa-2,4-diene-1-carbonyl)pyrrolidine-3-carboxylate (CID 171833297) is methyl 1-(4-methoxycyclohexa-2,4-diene-1-carbonyl)pyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 1-(4-methoxycyclohexa-2,4-diene-1-carbonyl)pyrrolidine-3-carboxylate?
The canonical SMILES for methyl 1-(4-methoxycyclohexa-2,4-diene-1-carbonyl)pyrrolidine-3-carboxylate is COC(=O)C1CCN(C(=O)C2C=CC(OC)=CC2)C1.
What is the InChIKey of methyl 1-(4-methoxycyclohexa-2,4-diene-1-carbonyl)pyrrolidine-3-carboxylate?
The InChIKey is NUGNGZSTKXKHQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-18-12-5-3-10(4-6-12)13(16)15-8-7-11(9-15)14(17)19-2/h3,5-6,10-11H,4,7-9H2,1-2H3.
What are the key properties of methyl 1-(4-methoxycyclohexa-2,4-diene-1-carbonyl)pyrrolidine-3-carboxylate?
methyl 1-(4-methoxycyclohexa-2,4-diene-1-carbonyl)pyrrolidine-3-carboxylate has a molecular weight of 265.31 g/mol, XLogP of 1.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4-methoxycyclohexa-2,4-diene-1-carbonyl)pyrrolidine-3-carboxylate is sourced from PubChem (CID 171833297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).