5-ethoxy-1-(1-methoxycyclohexa-2,4-diene-1-carbonyl)pyrrolidin-2-one

C14H19NO4 — CID 67934879

IUPAC5-ethoxy-1-(1-methoxycyclohexa-2,4-diene-1-carbonyl)pyrrolidin-2-one
SMILESCCOC1CCC(=O)N1C(=O)C1(OC)C=CC=CC1
InChIInChI=1S/C14H19NO4/c1-3-19-12-8-7-11(16)15(12)13(17)14(18-2)9-5-4-6-10-14/h4-6,9,12H,3,7-8,10H2,1-2H3
InChIKeyBGQKXNQYVVCUHF-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.40
Rot. Bonds4

About 5-ethoxy-1-(1-methoxycyclohexa-2,4-diene-1-carbonyl)pyrrolidin-2-one

5-ethoxy-1-(1-methoxycyclohexa-2,4-diene-1-carbonyl)pyrrolidin-2-one (PubChem CID 67934879) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 5-ethoxy-1-(1-methoxycyclohexa-2,4-diene-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-ethoxy-1-(1-methoxycyclohexa-2,4-diene-1-carbonyl)pyrrolidin-2-one
PubChem CID67934879
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name5-ethoxy-1-(1-methoxycyclohexa-2,4-diene-1-carbonyl)pyrrolidin-2-one
SMILESCCOC1CCC(=O)N1C(=O)C1(OC)C=CC=CC1
InChIInChI=1S/C14H19NO4/c1-3-19-12-8-7-11(16)15(12)13(17)14(18-2)9-5-4-6-10-14/h4-6,9,12H,3,7-8,10H2,1-2H3
InChIKeyBGQKXNQYVVCUHF-UHFFFAOYSA-N
XLogP1.40
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-1-(1-methoxycyclohexa-2,4-diene-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of 5-ethoxy-1-(1-methoxycyclohexa-2,4-diene-1-carbonyl)pyrrolidin-2-one (CID 67934879) is 5-ethoxy-1-(1-methoxycyclohexa-2,4-diene-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 5-ethoxy-1-(1-methoxycyclohexa-2,4-diene-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 5-ethoxy-1-(1-methoxycyclohexa-2,4-diene-1-carbonyl)pyrrolidin-2-one is CCOC1CCC(=O)N1C(=O)C1(OC)C=CC=CC1.
What is the InChIKey of 5-ethoxy-1-(1-methoxycyclohexa-2,4-diene-1-carbonyl)pyrrolidin-2-one?
The InChIKey is BGQKXNQYVVCUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-3-19-12-8-7-11(16)15(12)13(17)14(18-2)9-5-4-6-10-14/h4-6,9,12H,3,7-8,10H2,1-2H3.
What are the key properties of 5-ethoxy-1-(1-methoxycyclohexa-2,4-diene-1-carbonyl)pyrrolidin-2-one?
5-ethoxy-1-(1-methoxycyclohexa-2,4-diene-1-carbonyl)pyrrolidin-2-one has a molecular weight of 265.31 g/mol, XLogP of 1.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-1-(1-methoxycyclohexa-2,4-diene-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 67934879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).