(3Z)-3-(morpholin-4-ylmethylidene)oxolan-2-one

C9H13NO3 — CID 13353954

IUPAC(3Z)-3-(morpholin-4-ylmethylidene)oxolan-2-one
SMILESO=C1OCC/C1=C/N1CCOCC1
InChIInChI=1S/C9H13NO3/c11-9-8(1-4-13-9)7-10-2-5-12-6-3-10/h7H,1-6H2/b8-7-
InChIKeyWFAPJUTWVYKMQF-FPLPWBNLSA-N
MW183.21 g/mol
LogP0.15
Rot. Bonds1

About (3Z)-3-(morpholin-4-ylmethylidene)oxolan-2-one

(3Z)-3-(morpholin-4-ylmethylidene)oxolan-2-one (PubChem CID 13353954) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is (3Z)-3-(morpholin-4-ylmethylidene)oxolan-2-one.

Molecular Properties

Compound Name(3Z)-3-(morpholin-4-ylmethylidene)oxolan-2-one
PubChem CID13353954
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name(3Z)-3-(morpholin-4-ylmethylidene)oxolan-2-one
SMILESO=C1OCC/C1=C/N1CCOCC1
InChIInChI=1S/C9H13NO3/c11-9-8(1-4-13-9)7-10-2-5-12-6-3-10/h7H,1-6H2/b8-7-
InChIKeyWFAPJUTWVYKMQF-FPLPWBNLSA-N
XLogP0.15
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(Piperidin-1-ylmethylidene)oxolan-2-one
CID 304568
(3E)-3-(diethylaminomethylidene)oxolan-2-one
CID 5383831
2(3H)-Furanone, 3-[(dimethylamino)methylene]dihydro-, (3E)-
CID 5383830
(3E)-3-(piperidin-1-ylmethylidene)oxolan-2-one
CID 6390738
(3E)-3-(morpholin-4-ylmethylidene)oxolan-2-one
CID 11309905
3-Dimethylaminomethylenedihydrofuran-2-one
CID 304566
(3Z)-3-(dimethylaminomethylidene)oxolan-2-one
CID 6245809
Methyl 2-methyl-3-morpholin-4-ylprop-2-enoate
CID 68602025
3-(Diethylaminomethylidene)oxolan-2-one
CID 304567
(3Z)-3-(piperidin-1-ylmethylidene)oxolan-2-one
CID 6245810
ethyl (2E)-2-(morpholin-4-ylmethylidene)butanoate
CID 13156758
methyl (E)-2-methyl-3-morpholin-4-ylprop-2-enoate
CID 13169442

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-(morpholin-4-ylmethylidene)oxolan-2-one?
The IUPAC name of (3Z)-3-(morpholin-4-ylmethylidene)oxolan-2-one (CID 13353954) is (3Z)-3-(morpholin-4-ylmethylidene)oxolan-2-one.
What is the SMILES notation for (3Z)-3-(morpholin-4-ylmethylidene)oxolan-2-one?
The canonical SMILES for (3Z)-3-(morpholin-4-ylmethylidene)oxolan-2-one is O=C1OCC/C1=C/N1CCOCC1.
What is the InChIKey of (3Z)-3-(morpholin-4-ylmethylidene)oxolan-2-one?
The InChIKey is WFAPJUTWVYKMQF-FPLPWBNLSA-N. The full InChI is InChI=1S/C9H13NO3/c11-9-8(1-4-13-9)7-10-2-5-12-6-3-10/h7H,1-6H2/b8-7-.
What are the key properties of (3Z)-3-(morpholin-4-ylmethylidene)oxolan-2-one?
(3Z)-3-(morpholin-4-ylmethylidene)oxolan-2-one has a molecular weight of 183.21 g/mol, XLogP of 0.15, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-(morpholin-4-ylmethylidene)oxolan-2-one is sourced from PubChem (CID 13353954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).