N-(propan-2-ylideneamino)morpholine-4-carboxamide

C8H15N3O2 — CID 130660233

IUPACN-(propan-2-ylideneamino)morpholine-4-carboxamide
SMILESCC(C)=NNC(=O)N1CCOCC1
InChIInChI=1S/C8H15N3O2/c1-7(2)9-10-8(12)11-3-5-13-6-4-11/h3-6H2,1-2H3,(H,10,12)
InChIKeyGXQKFPMEBHLKFO-UHFFFAOYSA-N
MW185.23 g/mol
LogP0.42
Rot. Bonds1

About N-(propan-2-ylideneamino)morpholine-4-carboxamide

N-(propan-2-ylideneamino)morpholine-4-carboxamide (PubChem CID 130660233) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is N-(propan-2-ylideneamino)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-(propan-2-ylideneamino)morpholine-4-carboxamide
PubChem CID130660233
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC NameN-(propan-2-ylideneamino)morpholine-4-carboxamide
SMILESCC(C)=NNC(=O)N1CCOCC1
InChIInChI=1S/C8H15N3O2/c1-7(2)9-10-8(12)11-3-5-13-6-4-11/h3-6H2,1-2H3,(H,10,12)
InChIKeyGXQKFPMEBHLKFO-UHFFFAOYSA-N
XLogP0.42
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-acetylmorpholine-4-carboxamide
CID 102407930
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-propan-2-ylmorpholine-4-carboxamide
CID 3411412
1-(morpholine-4-carbonylamino)cyclopropane-1-carboxylic acid
CID 65451097
N-morpholin-4-ylmorpholine-4-carboxamide
CID 116657345
morpholine-4-carbohydrazide;hydrochloride
CID 138112583
butane;N-methylmorpholine-4-carboxamide;propane
CID 143336598
N-propylmorpholine-4-carboxamide
CID 3410822
methyl morpholine-4-carboxylate
CID 12575354
(morpholine-4-carbonylamino) thiohypoiodite
CID 126604146

Frequently Asked Questions

What is the IUPAC name of N-(propan-2-ylideneamino)morpholine-4-carboxamide?
The IUPAC name of N-(propan-2-ylideneamino)morpholine-4-carboxamide (CID 130660233) is N-(propan-2-ylideneamino)morpholine-4-carboxamide.
What is the SMILES notation for N-(propan-2-ylideneamino)morpholine-4-carboxamide?
The canonical SMILES for N-(propan-2-ylideneamino)morpholine-4-carboxamide is CC(C)=NNC(=O)N1CCOCC1.
What is the InChIKey of N-(propan-2-ylideneamino)morpholine-4-carboxamide?
The InChIKey is GXQKFPMEBHLKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2/c1-7(2)9-10-8(12)11-3-5-13-6-4-11/h3-6H2,1-2H3,(H,10,12).
What are the key properties of N-(propan-2-ylideneamino)morpholine-4-carboxamide?
N-(propan-2-ylideneamino)morpholine-4-carboxamide has a molecular weight of 185.23 g/mol, XLogP of 0.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(propan-2-ylideneamino)morpholine-4-carboxamide is sourced from PubChem (CID 130660233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).