2-morpholin-4-ylethyl 3-(furan-2-yl)prop-2-enoate

C13H17NO4 — CID 797064

IUPAC2-morpholin-4-ylethyl 3-(furan-2-yl)prop-2-enoate
SMILESO=C(C=Cc1ccco1)OCCN1CCOCC1
InChIInChI=1S/C13H17NO4/c15-13(4-3-12-2-1-8-17-12)18-11-7-14-5-9-16-10-6-14/h1-4,8H,5-7,9-11H2
InChIKeyVZCQQUSMQBSRFV-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.17
Rot. Bonds5

About 2-morpholin-4-ylethyl 3-(furan-2-yl)prop-2-enoate

2-morpholin-4-ylethyl 3-(furan-2-yl)prop-2-enoate (PubChem CID 797064) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is 2-morpholin-4-ylethyl 3-(furan-2-yl)prop-2-enoate.

Molecular Properties

Compound Name2-morpholin-4-ylethyl 3-(furan-2-yl)prop-2-enoate
PubChem CID797064
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name2-morpholin-4-ylethyl 3-(furan-2-yl)prop-2-enoate
SMILESO=C(C=Cc1ccco1)OCCN1CCOCC1
InChIInChI=1S/C13H17NO4/c15-13(4-3-12-2-1-8-17-12)18-11-7-14-5-9-16-10-6-14/h1-4,8H,5-7,9-11H2
InChIKeyVZCQQUSMQBSRFV-UHFFFAOYSA-N
XLogP1.17
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

bis(2-morpholin-4-ylethyl) but-2-enedioate
CID 69032977
butyl (Z)-3-(furan-2-yl)prop-2-enoate
CID 102254544
2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl N-[3-(furan-2-yl)prop-2-enoylamino]carbamate
CID 6735862
3-(furan-2-yl)-N-(4-morpholin-4-ylbut-2-ynyl)prop-2-enamide
CID 91939208
(2S)-2-amino-3-[3-(furan-2-yl)prop-2-enoyloxy]propanoic acid
CID 165357082
3-[(E)-3-(furan-2-yl)prop-2-enoyl]oxypropyl-dimethylazanium chloride
CID 44655635
(E)-3-(furan-2-yl)-N-(morpholine-4-carbothioyl)prop-2-enamide
CID 2054544
4-O-(2-morpholin-4-ylethyl) 1-O-pentyl (E)-but-2-enedioate
CID 71711808
(E)-3-(furan-2-yl)-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]prop-2-enamide
CID 9148362
[2-(methylamino)-2-oxoethyl] 3-(furan-2-yl)prop-2-enoate
CID 4541807
(Z)-3-(furan-2-yl)-N-[3-(morpholin-4-ylmethyl)phenyl]prop-2-enamide
CID 97456575
[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
CID 7852426

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ylethyl 3-(furan-2-yl)prop-2-enoate?
The IUPAC name of 2-morpholin-4-ylethyl 3-(furan-2-yl)prop-2-enoate (CID 797064) is 2-morpholin-4-ylethyl 3-(furan-2-yl)prop-2-enoate.
What is the SMILES notation for 2-morpholin-4-ylethyl 3-(furan-2-yl)prop-2-enoate?
The canonical SMILES for 2-morpholin-4-ylethyl 3-(furan-2-yl)prop-2-enoate is O=C(C=Cc1ccco1)OCCN1CCOCC1.
What is the InChIKey of 2-morpholin-4-ylethyl 3-(furan-2-yl)prop-2-enoate?
The InChIKey is VZCQQUSMQBSRFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c15-13(4-3-12-2-1-8-17-12)18-11-7-14-5-9-16-10-6-14/h1-4,8H,5-7,9-11H2.
What are the key properties of 2-morpholin-4-ylethyl 3-(furan-2-yl)prop-2-enoate?
2-morpholin-4-ylethyl 3-(furan-2-yl)prop-2-enoate has a molecular weight of 251.28 g/mol, XLogP of 1.17, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ylethyl 3-(furan-2-yl)prop-2-enoate is sourced from PubChem (CID 797064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).