N-(morpholin-4-ylmethyl)prop-2-enamide

C8H14N2O2 — CID 22725837

IUPACN-(morpholin-4-ylmethyl)prop-2-enamide
SMILESC=CC(=O)NCN1CCOCC1
InChIInChI=1S/C8H14N2O2/c1-2-8(11)9-7-10-3-5-12-6-4-10/h2H,1,3-7H2,(H,9,11)
InChIKeyYYMRAHJYANNJQC-UHFFFAOYSA-N
MW170.21 g/mol
LogP-0.42
Rot. Bonds3

About N-(morpholin-4-ylmethyl)prop-2-enamide

N-(morpholin-4-ylmethyl)prop-2-enamide (PubChem CID 22725837) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is N-(morpholin-4-ylmethyl)prop-2-enamide.

Molecular Properties

Compound NameN-(morpholin-4-ylmethyl)prop-2-enamide
PubChem CID22725837
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC NameN-(morpholin-4-ylmethyl)prop-2-enamide
SMILESC=CC(=O)NCN1CCOCC1
InChIInChI=1S/C8H14N2O2/c1-2-8(11)9-7-10-3-5-12-6-4-10/h2H,1,3-7H2,(H,9,11)
InChIKeyYYMRAHJYANNJQC-UHFFFAOYSA-N
XLogP-0.42
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,3-dimorpholin-4-ylpropan-2-one
CID 139559066
N-morpholin-4-ylsulfonylprop-2-enamide
CID 142782715
N-[2-(prop-2-enoylamino)ethyl]-2-[2-(1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl)ethylamino]propanamide
CID 175312756
1-ethenyl-3-(3-morpholin-4-ylpropyl)urea
CID 108909151
2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-N-prop-2-enylacetamide
CID 55498763
N-(sulfanylmethyl)prop-2-enamide
CID 21197466
N-[(2-oxoimidazolidin-1-yl)methyl]prop-2-enamide
CID 3021104
N-(hydroxymethyl)prop-2-enamide;2-methylprop-2-enamide;1-morpholin-4-ylprop-2-en-1-one;prop-2-enamide
CID 174819679
methyl 2-morpholin-4-ylacetate
CID 1268178
N-(3-morpholin-4-ylpropyl)pent-4-enamide
CID 70244904
(E)-1-morpholin-4-ylpent-3-en-2-one
CID 146386174
ethane;N-methyl-2-morpholin-4-ylacetamide
CID 143296562

Frequently Asked Questions

What is the IUPAC name of N-(morpholin-4-ylmethyl)prop-2-enamide?
The IUPAC name of N-(morpholin-4-ylmethyl)prop-2-enamide (CID 22725837) is N-(morpholin-4-ylmethyl)prop-2-enamide.
What is the SMILES notation for N-(morpholin-4-ylmethyl)prop-2-enamide?
The canonical SMILES for N-(morpholin-4-ylmethyl)prop-2-enamide is C=CC(=O)NCN1CCOCC1.
What is the InChIKey of N-(morpholin-4-ylmethyl)prop-2-enamide?
The InChIKey is YYMRAHJYANNJQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-2-8(11)9-7-10-3-5-12-6-4-10/h2H,1,3-7H2,(H,9,11).
What are the key properties of N-(morpholin-4-ylmethyl)prop-2-enamide?
N-(morpholin-4-ylmethyl)prop-2-enamide has a molecular weight of 170.21 g/mol, XLogP of -0.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(morpholin-4-ylmethyl)prop-2-enamide is sourced from PubChem (CID 22725837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).