(3Z)-3-(ethylaminomethylidene)oxolan-2-one

C7H11NO2 — CID 55287067

IUPAC(3Z)-3-(ethylaminomethylidene)oxolan-2-one
SMILESCCN/C=C1/CCOC1=O
InChIInChI=1S/C7H11NO2/c1-2-8-5-6-3-4-10-7(6)9/h5,8H,2-4H2,1H3/b6-5-
InChIKeyLGNYZOUGNXCFRJ-WAYWQWQTSA-N
MW141.17 g/mol
LogP0.43
Rot. Bonds2

About (3Z)-3-(ethylaminomethylidene)oxolan-2-one

(3Z)-3-(ethylaminomethylidene)oxolan-2-one (PubChem CID 55287067) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is (3Z)-3-(ethylaminomethylidene)oxolan-2-one.

Molecular Properties

Compound Name(3Z)-3-(ethylaminomethylidene)oxolan-2-one
PubChem CID55287067
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name(3Z)-3-(ethylaminomethylidene)oxolan-2-one
SMILESCCN/C=C1/CCOC1=O
InChIInChI=1S/C7H11NO2/c1-2-8-5-6-3-4-10-7(6)9/h5,8H,2-4H2,1H3/b6-5-
InChIKeyLGNYZOUGNXCFRJ-WAYWQWQTSA-N
XLogP0.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-(ethylaminomethylidene)oxolan-2-one?
The IUPAC name of (3Z)-3-(ethylaminomethylidene)oxolan-2-one (CID 55287067) is (3Z)-3-(ethylaminomethylidene)oxolan-2-one.
What is the SMILES notation for (3Z)-3-(ethylaminomethylidene)oxolan-2-one?
The canonical SMILES for (3Z)-3-(ethylaminomethylidene)oxolan-2-one is CCN/C=C1/CCOC1=O.
What is the InChIKey of (3Z)-3-(ethylaminomethylidene)oxolan-2-one?
The InChIKey is LGNYZOUGNXCFRJ-WAYWQWQTSA-N. The full InChI is InChI=1S/C7H11NO2/c1-2-8-5-6-3-4-10-7(6)9/h5,8H,2-4H2,1H3/b6-5-.
What are the key properties of (3Z)-3-(ethylaminomethylidene)oxolan-2-one?
(3Z)-3-(ethylaminomethylidene)oxolan-2-one has a molecular weight of 141.17 g/mol, XLogP of 0.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-(ethylaminomethylidene)oxolan-2-one is sourced from PubChem (CID 55287067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).