1-[(3E,5Z)-3-ethenyl-1-methoxyhepta-3,5-dien-2-yl]pyrrolidin-2-one

C14H21NO2 — CID 143373088

IUPAC1-[(3E,5Z)-3-ethenyl-1-methoxyhepta-3,5-dien-2-yl]pyrrolidin-2-one
SMILESC=C/C(=C\C=C/C)C(COC)N1CCCC1=O
InChIInChI=1S/C14H21NO2/c1-4-6-8-12(5-2)13(11-17-3)15-10-7-9-14(15)16/h4-6,8,13H,2,7,9-11H2,1,3H3/b6-4-,12-8+
InChIKeyJICFCMFVWRSYQT-XWBYBSRJSA-N
MW235.33 g/mol
LogP2.31
Rot. Bonds6

About 1-[(3E,5Z)-3-ethenyl-1-methoxyhepta-3,5-dien-2-yl]pyrrolidin-2-one

1-[(3E,5Z)-3-ethenyl-1-methoxyhepta-3,5-dien-2-yl]pyrrolidin-2-one (PubChem CID 143373088) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-[(3E,5Z)-3-ethenyl-1-methoxyhepta-3,5-dien-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(3E,5Z)-3-ethenyl-1-methoxyhepta-3,5-dien-2-yl]pyrrolidin-2-one
PubChem CID143373088
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name1-[(3E,5Z)-3-ethenyl-1-methoxyhepta-3,5-dien-2-yl]pyrrolidin-2-one
SMILESC=C/C(=C\C=C/C)C(COC)N1CCCC1=O
InChIInChI=1S/C14H21NO2/c1-4-6-8-12(5-2)13(11-17-3)15-10-7-9-14(15)16/h4-6,8,13H,2,7,9-11H2,1,3H3/b6-4-,12-8+
InChIKeyJICFCMFVWRSYQT-XWBYBSRJSA-N
XLogP2.31
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[(3E,5Z)-3-ethenyl-1-methoxyhepta-3,5-dien-2-yl]pyrrolidin-2-one with MolForge

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Related Compounds

ethane;1-[(3E,4Z)-3-ethylidenehepta-4,6-dien-2-yl]pyrrolidin-2-one
CID 143332418
ethenyl 2-(2-oxopyrrolidin-1-yl)propyl carbonate
CID 22436158
methyl (2R)-2-(2-oxopyrrolidin-1-yl)butanoate
CID 68788045
2-(2-oxopyrrolidin-1-yl)pent-4-enamide
CID 70440707
methyl acetate;1-(2-oxopyrrolidin-1-yl)ethyl prop-2-enoate
CID 145448652
(3E,5Z)-3-ethenyl-1-methoxy-N-[2,2,2-trifluoro-1-(oxiran-2-yl)ethyl]hepta-3,5-dien-2-amine
CID 142994928
butyl 2-(2-oxopyrrolidin-1-yl)butanoate
CID 142211549
2-(2-oxopyrrolidin-1-yl)butanamide;propane
CID 154648377
1-hex-5-en-3-ylpyrrolidin-2-one
CID 66716495
methyl 2-hydroxy-2-(2-oxopyrrolidin-1-yl)acetate
CID 139781503
amino 2-(2-oxopyrrolidin-1-yl)pentanoate
CID 90161932
ethenyl 2-hydroxy-2-(2-oxopyrrolidin-1-yl)acetate
CID 67572682

Frequently Asked Questions

What is the IUPAC name of 1-[(3E,5Z)-3-ethenyl-1-methoxyhepta-3,5-dien-2-yl]pyrrolidin-2-one?
The IUPAC name of 1-[(3E,5Z)-3-ethenyl-1-methoxyhepta-3,5-dien-2-yl]pyrrolidin-2-one (CID 143373088) is 1-[(3E,5Z)-3-ethenyl-1-methoxyhepta-3,5-dien-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(3E,5Z)-3-ethenyl-1-methoxyhepta-3,5-dien-2-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[(3E,5Z)-3-ethenyl-1-methoxyhepta-3,5-dien-2-yl]pyrrolidin-2-one is C=C/C(=C\C=C/C)C(COC)N1CCCC1=O.
What is the InChIKey of 1-[(3E,5Z)-3-ethenyl-1-methoxyhepta-3,5-dien-2-yl]pyrrolidin-2-one?
The InChIKey is JICFCMFVWRSYQT-XWBYBSRJSA-N. The full InChI is InChI=1S/C14H21NO2/c1-4-6-8-12(5-2)13(11-17-3)15-10-7-9-14(15)16/h4-6,8,13H,2,7,9-11H2,1,3H3/b6-4-,12-8+.
What are the key properties of 1-[(3E,5Z)-3-ethenyl-1-methoxyhepta-3,5-dien-2-yl]pyrrolidin-2-one?
1-[(3E,5Z)-3-ethenyl-1-methoxyhepta-3,5-dien-2-yl]pyrrolidin-2-one has a molecular weight of 235.33 g/mol, XLogP of 2.31, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3E,5Z)-3-ethenyl-1-methoxyhepta-3,5-dien-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 143373088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).