(E)-3-(furan-2-yl)-2-(morpholine-4-carbonyl)prop-2-enenitrile

C12H12N2O3 — CID 6293394

IUPAC(E)-3-(furan-2-yl)-2-(morpholine-4-carbonyl)prop-2-enenitrile
SMILESN#C/C(=C\c1ccco1)C(=O)N1CCOCC1
InChIInChI=1S/C12H12N2O3/c13-9-10(8-11-2-1-5-17-11)12(15)14-3-6-16-7-4-14/h1-2,5,8H,3-4,6-7H2/b10-8+
InChIKeyPPDLMLFWVDJUTQ-CSKARUKUSA-N
MW232.24 g/mol
LogP1.05
Rot. Bonds2

About (E)-3-(furan-2-yl)-2-(morpholine-4-carbonyl)prop-2-enenitrile

(E)-3-(furan-2-yl)-2-(morpholine-4-carbonyl)prop-2-enenitrile (PubChem CID 6293394) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-2-(morpholine-4-carbonyl)prop-2-enenitrile.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-2-(morpholine-4-carbonyl)prop-2-enenitrile
PubChem CID6293394
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name(E)-3-(furan-2-yl)-2-(morpholine-4-carbonyl)prop-2-enenitrile
SMILESN#C/C(=C\c1ccco1)C(=O)N1CCOCC1
InChIInChI=1S/C12H12N2O3/c13-9-10(8-11-2-1-5-17-11)12(15)14-3-6-16-7-4-14/h1-2,5,8H,3-4,6-7H2/b10-8+
InChIKeyPPDLMLFWVDJUTQ-CSKARUKUSA-N
XLogP1.05
TPSA66.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(4-methylphenyl)-2-(morpholine-4-carbonyl)prop-2-enenitrile
CID 40556389
2-(morpholine-4-carbonyl)-3-[5-[4-(morpholine-4-carbonyl)phenyl]furan-2-yl]prop-2-enenitrile
CID 3995596
(Z)-2-cyano-3-(furan-2-yl)-N-(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)prop-2-enamide
CID 170911945
3-(furan-2-yl)-2-[3-(phenylmethoxymethyl)pyrrolidine-1-carbonyl]prop-2-enenitrile
CID 91943004
methyl (E)-2-cyano-3-(furan-2-yl)prop-2-enoate
CID 5467940
(Z)-3-(5-methyl-1-phenylpyrrol-2-yl)-2-(morpholine-4-carbonyl)prop-2-enenitrile
CID 50856320
2-[2-(2-cyano-3-morpholin-4-yl-3-oxoprop-1-enyl)phenoxy]acetic acid
CID 4772523
2-chloro-N-[1-(furan-2-yl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]benzamide
CID 1163152
3-[4-(diethylamino)phenyl]-2-(morpholine-4-carbonyl)prop-2-enenitrile
CID 4244992
(Z)-3-[4-(4-methylphenyl)sulfanylphenyl]-2-(morpholine-4-carbonyl)prop-2-enenitrile
CID 126249576
(Z)-3-(dibenzylamino)-2-(morpholine-4-carbonyl)prop-2-enenitrile
CID 108843721
(Z)-3-(2,5-dimethylfuran-3-yl)-2-(morpholine-4-carbonyl)prop-2-enenitrile
CID 955903

Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-2-yl)-2-(morpholine-4-carbonyl)prop-2-enenitrile?
The IUPAC name of (E)-3-(furan-2-yl)-2-(morpholine-4-carbonyl)prop-2-enenitrile (CID 6293394) is (E)-3-(furan-2-yl)-2-(morpholine-4-carbonyl)prop-2-enenitrile.
What is the SMILES notation for (E)-3-(furan-2-yl)-2-(morpholine-4-carbonyl)prop-2-enenitrile?
The canonical SMILES for (E)-3-(furan-2-yl)-2-(morpholine-4-carbonyl)prop-2-enenitrile is N#C/C(=C\c1ccco1)C(=O)N1CCOCC1.
What is the InChIKey of (E)-3-(furan-2-yl)-2-(morpholine-4-carbonyl)prop-2-enenitrile?
The InChIKey is PPDLMLFWVDJUTQ-CSKARUKUSA-N. The full InChI is InChI=1S/C12H12N2O3/c13-9-10(8-11-2-1-5-17-11)12(15)14-3-6-16-7-4-14/h1-2,5,8H,3-4,6-7H2/b10-8+.
What are the key properties of (E)-3-(furan-2-yl)-2-(morpholine-4-carbonyl)prop-2-enenitrile?
(E)-3-(furan-2-yl)-2-(morpholine-4-carbonyl)prop-2-enenitrile has a molecular weight of 232.24 g/mol, XLogP of 1.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(furan-2-yl)-2-(morpholine-4-carbonyl)prop-2-enenitrile is sourced from PubChem (CID 6293394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).