4-(cyanomethyl)morpholine-2-carboxamide

C7H11N3O2 — CID 130674301

IUPAC4-(cyanomethyl)morpholine-2-carboxamide
SMILESN#CCN1CCOC(C(N)=O)C1
InChIInChI=1S/C7H11N3O2/c8-1-2-10-3-4-12-6(5-10)7(9)11/h6H,2-5H2,(H2,9,11)
InChIKeyQCDSVUBHAGXPSJ-UHFFFAOYSA-N
MW169.18 g/mol
LogP-1.30
Rot. Bonds2

About 4-(cyanomethyl)morpholine-2-carboxamide

4-(cyanomethyl)morpholine-2-carboxamide (PubChem CID 130674301) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 4-(cyanomethyl)morpholine-2-carboxamide.

Molecular Properties

Compound Name4-(cyanomethyl)morpholine-2-carboxamide
PubChem CID130674301
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name4-(cyanomethyl)morpholine-2-carboxamide
SMILESN#CCN1CCOC(C(N)=O)C1
InChIInChI=1S/C7H11N3O2/c8-1-2-10-3-4-12-6(5-10)7(9)11/h6H,2-5H2,(H2,9,11)
InChIKeyQCDSVUBHAGXPSJ-UHFFFAOYSA-N
XLogP-1.30
TPSA79.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-1.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(cyanomethyl)morpholin-2-yl]acetic acid
CID 66435228
4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]morpholine-2-carboxamide
CID 140671769
4-[(4-methylmorpholin-2-yl)methyl]morpholine-2-carboxamide
CID 175806629
2-(2-cyclopropylmorpholin-4-yl)acetonitrile
CID 126990253
4-(1,2-dihydroxyethyl)morpholine-2-carboxamide
CID 174387673
4-[(E)-3-pyridin-4-ylprop-2-enyl]morpholine-2-carboxamide
CID 167822287
2-[2-(4-hydroxyphenyl)morpholin-4-yl]acetonitrile
CID 87721500
2-(2-carbamothioylmorpholin-4-yl)acetamide
CID 79680931
2-(2-propylmorpholin-4-yl)acetonitrile
CID 130694336
4-(2-aminoacetyl)morpholine-2-carboxamide;hydrochloride
CID 130609413
4-[(3,5-ditert-butyl-2-hydroxyphenyl)methyl]morpholine-2-carboxamide
CID 47088134
2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]acetonitrile
CID 27280952

Frequently Asked Questions

What is the IUPAC name of 4-(cyanomethyl)morpholine-2-carboxamide?
The IUPAC name of 4-(cyanomethyl)morpholine-2-carboxamide (CID 130674301) is 4-(cyanomethyl)morpholine-2-carboxamide.
What is the SMILES notation for 4-(cyanomethyl)morpholine-2-carboxamide?
The canonical SMILES for 4-(cyanomethyl)morpholine-2-carboxamide is N#CCN1CCOC(C(N)=O)C1.
What is the InChIKey of 4-(cyanomethyl)morpholine-2-carboxamide?
The InChIKey is QCDSVUBHAGXPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c8-1-2-10-3-4-12-6(5-10)7(9)11/h6H,2-5H2,(H2,9,11).
What are the key properties of 4-(cyanomethyl)morpholine-2-carboxamide?
4-(cyanomethyl)morpholine-2-carboxamide has a molecular weight of 169.18 g/mol, XLogP of -1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyanomethyl)morpholine-2-carboxamide is sourced from PubChem (CID 130674301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).