(Z)-3-(N-methylanilino)-2-(morpholine-4-carbonyl)prop-2-enenitrile

C15H17N3O2 — CID 108843698

IUPAC(Z)-3-(N-methylanilino)-2-(morpholine-4-carbonyl)prop-2-enenitrile
SMILESCN(/C=C(/C#N)C(=O)N1CCOCC1)c1ccccc1
InChIInChI=1S/C15H17N3O2/c1-17(14-5-3-2-4-6-14)12-13(11-16)15(19)18-7-9-20-10-8-18/h2-6,12H,7-10H2,1H3/b13-12-
InChIKeyCOWFJGXKEOTAEL-SEYXRHQNSA-N
MW271.32 g/mol
LogP1.39
Rot. Bonds3

About (Z)-3-(N-methylanilino)-2-(morpholine-4-carbonyl)prop-2-enenitrile

(Z)-3-(N-methylanilino)-2-(morpholine-4-carbonyl)prop-2-enenitrile (PubChem CID 108843698) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is (Z)-3-(N-methylanilino)-2-(morpholine-4-carbonyl)prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-(N-methylanilino)-2-(morpholine-4-carbonyl)prop-2-enenitrile
PubChem CID108843698
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name(Z)-3-(N-methylanilino)-2-(morpholine-4-carbonyl)prop-2-enenitrile
SMILESCN(/C=C(/C#N)C(=O)N1CCOCC1)c1ccccc1
InChIInChI=1S/C15H17N3O2/c1-17(14-5-3-2-4-6-14)12-13(11-16)15(19)18-7-9-20-10-8-18/h2-6,12H,7-10H2,1H3/b13-12-
InChIKeyCOWFJGXKEOTAEL-SEYXRHQNSA-N
XLogP1.39
TPSA56.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.39
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

(Z)-3-(N-methylanilino)-2-(piperazine-1-carbonyl)prop-2-enenitrile
CID 108819929
(Z)-2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-3-(N-methylanilino)prop-2-enenitrile
CID 108854878
(Z)-3-(dibenzylamino)-2-(morpholine-4-carbonyl)prop-2-enenitrile
CID 108843721
(Z)-3-(4-benzylpiperidin-1-yl)-2-(morpholine-4-carbonyl)prop-2-enenitrile
CID 108843608
(Z)-3-(5-methyl-1-phenylpyrrol-2-yl)-2-(morpholine-4-carbonyl)prop-2-enenitrile
CID 50856320
(E)-3-(4-methylphenyl)-2-(morpholine-4-carbonyl)prop-2-enenitrile
CID 40556389
3-[4-(diethylamino)phenyl]-2-(morpholine-4-carbonyl)prop-2-enenitrile
CID 4244992
(Z)-3-(N-benzylanilino)-2-(piperazine-1-carbonyl)prop-2-enenitrile
CID 108819996
(E)-3-(furan-2-yl)-2-(morpholine-4-carbonyl)prop-2-enenitrile
CID 6293394
(Z)-3-[ethyl(2-hydroxyethyl)amino]-2-(morpholine-4-carbonyl)prop-2-enenitrile
CID 108843734
(E)-3-[2-(dimethylamino)-5-nitrophenyl]-2-(morpholine-4-carbonyl)prop-2-enenitrile
CID 126007432
2-[2-(2-cyano-3-morpholin-4-yl-3-oxoprop-1-enyl)phenoxy]acetic acid
CID 4772523

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(N-methylanilino)-2-(morpholine-4-carbonyl)prop-2-enenitrile?
The IUPAC name of (Z)-3-(N-methylanilino)-2-(morpholine-4-carbonyl)prop-2-enenitrile (CID 108843698) is (Z)-3-(N-methylanilino)-2-(morpholine-4-carbonyl)prop-2-enenitrile.
What is the SMILES notation for (Z)-3-(N-methylanilino)-2-(morpholine-4-carbonyl)prop-2-enenitrile?
The canonical SMILES for (Z)-3-(N-methylanilino)-2-(morpholine-4-carbonyl)prop-2-enenitrile is CN(/C=C(/C#N)C(=O)N1CCOCC1)c1ccccc1.
What is the InChIKey of (Z)-3-(N-methylanilino)-2-(morpholine-4-carbonyl)prop-2-enenitrile?
The InChIKey is COWFJGXKEOTAEL-SEYXRHQNSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-17(14-5-3-2-4-6-14)12-13(11-16)15(19)18-7-9-20-10-8-18/h2-6,12H,7-10H2,1H3/b13-12-.
What are the key properties of (Z)-3-(N-methylanilino)-2-(morpholine-4-carbonyl)prop-2-enenitrile?
(Z)-3-(N-methylanilino)-2-(morpholine-4-carbonyl)prop-2-enenitrile has a molecular weight of 271.32 g/mol, XLogP of 1.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(N-methylanilino)-2-(morpholine-4-carbonyl)prop-2-enenitrile is sourced from PubChem (CID 108843698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).