N-ethynyl-N-methylmorpholine-4-carboxamide

C8H12N2O2 — CID 70106574

IUPACN-ethynyl-N-methylmorpholine-4-carboxamide
SMILESC#CN(C)C(=O)N1CCOCC1
InChIInChI=1S/C8H12N2O2/c1-3-9(2)8(11)10-4-6-12-7-5-10/h1H,4-7H2,2H3
InChIKeyIZXUBBUKSBNOLE-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.04
Rot. Bonds

About N-ethynyl-N-methylmorpholine-4-carboxamide

N-ethynyl-N-methylmorpholine-4-carboxamide (PubChem CID 70106574) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is N-ethynyl-N-methylmorpholine-4-carboxamide.

Molecular Properties

Compound NameN-ethynyl-N-methylmorpholine-4-carboxamide
PubChem CID70106574
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC NameN-ethynyl-N-methylmorpholine-4-carboxamide
SMILESC#CN(C)C(=O)N1CCOCC1
InChIInChI=1S/C8H12N2O2/c1-3-9(2)8(11)10-4-6-12-7-5-10/h1H,4-7H2,2H3
InChIKeyIZXUBBUKSBNOLE-UHFFFAOYSA-N
XLogP-0.04
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-[(3S)-2-methyl-4-oxopentan-3-yl]morpholine-4-carboxamide
CID 178173065
N-(2-methoxyethyl)-N-methylmorpholine-4-carboxamide
CID 115589220
1-(1,4,7,10,13,16,19-heptaoxa-22-azacyclotetracos-22-yl)ethanone
CID 20707611
1-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)ethanone
CID 10335257
1-(1,4,7-trioxa-10-azacyclododec-10-yl)ethanone
CID 949153
N-methyl-N-(1-methylsulfanylpropan-2-yl)morpholine-4-carboxamide
CID 115640207
N-(5-aminopentyl)-N-methylmorpholine-4-carboxamide
CID 107206795
N,N-dimethyl-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxamide
CID 52542447
N-ethyl-N-(2-ethylbutyl)morpholine-4-carboxamide
CID 115589059
3-[methyl-(3-morpholin-4-yl-3-oxopropyl)amino]-1-morpholin-4-ylpropan-1-one
CID 23422467
N-[3-(aminomethyl)pentan-3-yl]-N-methylmorpholine-4-carboxamide
CID 79154886
N-(3-bromophenyl)-N-methylmorpholine-4-carboxamide
CID 66906368

Frequently Asked Questions

What is the IUPAC name of N-ethynyl-N-methylmorpholine-4-carboxamide?
The IUPAC name of N-ethynyl-N-methylmorpholine-4-carboxamide (CID 70106574) is N-ethynyl-N-methylmorpholine-4-carboxamide.
What is the SMILES notation for N-ethynyl-N-methylmorpholine-4-carboxamide?
The canonical SMILES for N-ethynyl-N-methylmorpholine-4-carboxamide is C#CN(C)C(=O)N1CCOCC1.
What is the InChIKey of N-ethynyl-N-methylmorpholine-4-carboxamide?
The InChIKey is IZXUBBUKSBNOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-3-9(2)8(11)10-4-6-12-7-5-10/h1H,4-7H2,2H3.
What are the key properties of N-ethynyl-N-methylmorpholine-4-carboxamide?
N-ethynyl-N-methylmorpholine-4-carboxamide has a molecular weight of 168.20 g/mol, XLogP of -0.04, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethynyl-N-methylmorpholine-4-carboxamide is sourced from PubChem (CID 70106574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).