2-imino-1-morpholin-4-ylpropan-1-one

C7H12N2O2 — CID 171555876

IUPAC2-imino-1-morpholin-4-ylpropan-1-one
SMILES[H]/N=C(\C)C(=O)N1CCOCC1
InChIInChI=1S/C7H12N2O2/c1-6(8)7(10)9-2-4-11-5-3-9/h8H,2-5H2,1H3/b8-6+
InChIKeyNRQJURJYAGZGBT-SOFGYWHQSA-N
MW156.19 g/mol
LogP-0.12
Rot. Bonds1

About 2-imino-1-morpholin-4-ylpropan-1-one

2-imino-1-morpholin-4-ylpropan-1-one (PubChem CID 171555876) has the molecular formula C7H12N2O2 and a molecular weight of 156.19 g/mol. Its IUPAC name is 2-imino-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2-imino-1-morpholin-4-ylpropan-1-one
PubChem CID171555876
Molecular FormulaC7H12N2O2
Molecular Weight156.19 g/mol
Exact Mass156.09
IUPAC Name2-imino-1-morpholin-4-ylpropan-1-one
SMILES[H]/N=C(\C)C(=O)N1CCOCC1
InChIInChI=1S/C7H12N2O2/c1-6(8)7(10)9-2-4-11-5-3-9/h8H,2-5H2,1H3/b8-6+
InChIKeyNRQJURJYAGZGBT-SOFGYWHQSA-N
XLogP-0.12
TPSA53.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;2-imino-1-morpholin-4-ylpropan-1-one
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1-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)ethanone
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1-(1,4,7-trioxa-10-azacyclododec-10-yl)ethanone
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N-methyl-2-morpholin-4-yl-2-oxoacetamide
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3,3-dimethyl-1-morpholin-4-ylbutane-1,2-dione
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CID 136747595
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Frequently Asked Questions

What is the IUPAC name of 2-imino-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 2-imino-1-morpholin-4-ylpropan-1-one (CID 171555876) is 2-imino-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 2-imino-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 2-imino-1-morpholin-4-ylpropan-1-one is [H]/N=C(\C)C(=O)N1CCOCC1.
What is the InChIKey of 2-imino-1-morpholin-4-ylpropan-1-one?
The InChIKey is NRQJURJYAGZGBT-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-6(8)7(10)9-2-4-11-5-3-9/h8H,2-5H2,1H3/b8-6+.
What are the key properties of 2-imino-1-morpholin-4-ylpropan-1-one?
2-imino-1-morpholin-4-ylpropan-1-one has a molecular weight of 156.19 g/mol, XLogP of -0.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 171555876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).