4-(4-aminomorpholin-3-yl)-4-oxobutanal

C8H14N2O3 — CID 175865911

IUPAC4-(4-aminomorpholin-3-yl)-4-oxobutanal
SMILESNN1CCOCC1C(=O)CCC=O
InChIInChI=1S/C8H14N2O3/c9-10-3-5-13-6-7(10)8(12)2-1-4-11/h4,7H,1-3,5-6,9H2
InChIKeyNKHWXAMXMBDLFX-UHFFFAOYSA-N
MW186.21 g/mol
LogP-0.89
Rot. Bonds4

About 4-(4-aminomorpholin-3-yl)-4-oxobutanal

4-(4-aminomorpholin-3-yl)-4-oxobutanal (PubChem CID 175865911) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is 4-(4-aminomorpholin-3-yl)-4-oxobutanal.

Molecular Properties

Compound Name4-(4-aminomorpholin-3-yl)-4-oxobutanal
PubChem CID175865911
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Name4-(4-aminomorpholin-3-yl)-4-oxobutanal
SMILESNN1CCOCC1C(=O)CCC=O
InChIInChI=1S/C8H14N2O3/c9-10-3-5-13-6-7(10)8(12)2-1-4-11/h4,7H,1-3,5-6,9H2
InChIKeyNKHWXAMXMBDLFX-UHFFFAOYSA-N
XLogP-0.89
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-0.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 3-hex-5-enoylmorpholine-4-carboxylate
CID 103553978
3-propan-2-ylmorpholin-4-amine
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4-[2-oxo-2-(oxolan-3-yl)ethyl]morpholine-3-carboxamide
CID 104751036
2-[(3-carbamoylmorpholine-4-carbonyl)-cyclopropylamino]acetic acid
CID 83095825
4-cyclopropylmorpholine-3-carboxamide
CID 67153953
4-(5-hydrazinyl-5-oxopentan-2-yl)morpholine-3-carboxamide
CID 83095939
4-(cyanomethyl)morpholine-3-carboxamide
CID 83092724
N-cyclopropyl-4-(2-oxoethyl)morpholine-3-carboxamide
CID 83103250
(E)-4-[(3-carbamoylmorpholine-4-carbonyl)amino]but-2-enoic acid
CID 112746698
4-(3-amino-3-sulfanylidenepropanoyl)morpholine-3-carboxamide
CID 83101281
4-(4-aminopentanoyl)morpholine-3-carboxamide
CID 83100902

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminomorpholin-3-yl)-4-oxobutanal?
The IUPAC name of 4-(4-aminomorpholin-3-yl)-4-oxobutanal (CID 175865911) is 4-(4-aminomorpholin-3-yl)-4-oxobutanal.
What is the SMILES notation for 4-(4-aminomorpholin-3-yl)-4-oxobutanal?
The canonical SMILES for 4-(4-aminomorpholin-3-yl)-4-oxobutanal is NN1CCOCC1C(=O)CCC=O.
What is the InChIKey of 4-(4-aminomorpholin-3-yl)-4-oxobutanal?
The InChIKey is NKHWXAMXMBDLFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3/c9-10-3-5-13-6-7(10)8(12)2-1-4-11/h4,7H,1-3,5-6,9H2.
What are the key properties of 4-(4-aminomorpholin-3-yl)-4-oxobutanal?
4-(4-aminomorpholin-3-yl)-4-oxobutanal has a molecular weight of 186.21 g/mol, XLogP of -0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminomorpholin-3-yl)-4-oxobutanal is sourced from PubChem (CID 175865911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).