(E)-3-(dimethylamino)-1-morpholin-4-yl-2-(pyrrolidin-1-ylmethylideneamino)prop-2-en-1-one

C14H24N4O2 — CID 56955404

IUPAC(E)-3-(dimethylamino)-1-morpholin-4-yl-2-(pyrrolidin-1-ylmethylideneamino)prop-2-en-1-one
SMILESCN(C)/C=C(/N=C/N1CCCC1)C(=O)N1CCOCC1
InChIInChI=1S/C14H24N4O2/c1-16(2)11-13(15-12-17-5-3-4-6-17)14(19)18-7-9-20-10-8-18/h11-12H,3-10H2,1-2H3/b13-11+,15-12+
InChIKeyTZGCZPDZIAXIKW-CEHLPYKYSA-N
MW280.37 g/mol
LogP0.37
Rot. Bonds4

About (E)-3-(dimethylamino)-1-morpholin-4-yl-2-(pyrrolidin-1-ylmethylideneamino)prop-2-en-1-one

(E)-3-(dimethylamino)-1-morpholin-4-yl-2-(pyrrolidin-1-ylmethylideneamino)prop-2-en-1-one (PubChem CID 56955404) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is (E)-3-(dimethylamino)-1-morpholin-4-yl-2-(pyrrolidin-1-ylmethylideneamino)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(dimethylamino)-1-morpholin-4-yl-2-(pyrrolidin-1-ylmethylideneamino)prop-2-en-1-one
PubChem CID56955404
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name(E)-3-(dimethylamino)-1-morpholin-4-yl-2-(pyrrolidin-1-ylmethylideneamino)prop-2-en-1-one
SMILESCN(C)/C=C(/N=C/N1CCCC1)C(=O)N1CCOCC1
InChIInChI=1S/C14H24N4O2/c1-16(2)11-13(15-12-17-5-3-4-6-17)14(19)18-7-9-20-10-8-18/h11-12H,3-10H2,1-2H3/b13-11+,15-12+
InChIKeyTZGCZPDZIAXIKW-CEHLPYKYSA-N
XLogP0.37
TPSA48.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(5z)-2,3-Dimethyl-5-(morpholin-4-ylmethylidene)-3,5-dihydro-4h-imidazol-4-one
CID 154700620
(5z)-2-Ethyl-3-methyl-5-(morpholin-4-ylmethylidene)-3,5-dihydro-4h-imidazol-4-one
CID 154700627
(E)-1-morpholin-4-yl-3-pyrrolidin-1-yl-2-(pyrrolidin-1-ylmethylideneamino)prop-2-en-1-one
CID 56955125
N,N-dimethyl-N'-[(E)-3-morpholin-4-yl-3-oxo-1-pyrrolidin-1-ylprop-1-en-2-yl]methanimidamide
CID 56955405
N'-[(E)-1-(dimethylamino)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]-N,N-dimethylmethanimidamide
CID 56955406
(Z)-1-morpholin-4-yl-3-pyrrolidin-1-yl-2-(pyrrolidin-1-ylmethylideneamino)prop-2-en-1-one
CID 101562573

Frequently Asked Questions

What is the IUPAC name of (E)-3-(dimethylamino)-1-morpholin-4-yl-2-(pyrrolidin-1-ylmethylideneamino)prop-2-en-1-one?
The IUPAC name of (E)-3-(dimethylamino)-1-morpholin-4-yl-2-(pyrrolidin-1-ylmethylideneamino)prop-2-en-1-one (CID 56955404) is (E)-3-(dimethylamino)-1-morpholin-4-yl-2-(pyrrolidin-1-ylmethylideneamino)prop-2-en-1-one.
What is the SMILES notation for (E)-3-(dimethylamino)-1-morpholin-4-yl-2-(pyrrolidin-1-ylmethylideneamino)prop-2-en-1-one?
The canonical SMILES for (E)-3-(dimethylamino)-1-morpholin-4-yl-2-(pyrrolidin-1-ylmethylideneamino)prop-2-en-1-one is CN(C)/C=C(/N=C/N1CCCC1)C(=O)N1CCOCC1.
What is the InChIKey of (E)-3-(dimethylamino)-1-morpholin-4-yl-2-(pyrrolidin-1-ylmethylideneamino)prop-2-en-1-one?
The InChIKey is TZGCZPDZIAXIKW-CEHLPYKYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-16(2)11-13(15-12-17-5-3-4-6-17)14(19)18-7-9-20-10-8-18/h11-12H,3-10H2,1-2H3/b13-11+,15-12+.
What are the key properties of (E)-3-(dimethylamino)-1-morpholin-4-yl-2-(pyrrolidin-1-ylmethylideneamino)prop-2-en-1-one?
(E)-3-(dimethylamino)-1-morpholin-4-yl-2-(pyrrolidin-1-ylmethylideneamino)prop-2-en-1-one has a molecular weight of 280.37 g/mol, XLogP of 0.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(dimethylamino)-1-morpholin-4-yl-2-(pyrrolidin-1-ylmethylideneamino)prop-2-en-1-one is sourced from PubChem (CID 56955404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).