2-(4-propylmorpholin-2-yl)-1H-imidazole-5-carbaldehyde

C11H17N3O2 — CID 79657119

IUPAC2-(4-propylmorpholin-2-yl)-1H-imidazole-5-carbaldehyde
SMILESCCCN1CCOC(c2ncc(C=O)[nH]2)C1
InChIInChI=1S/C11H17N3O2/c1-2-3-14-4-5-16-10(7-14)11-12-6-9(8-15)13-11/h6,8,10H,2-5,7H2,1H3,(H,12,13)
InChIKeyXKUPTUAWNSFEAJ-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.01
Rot. Bonds4

About 2-(4-propylmorpholin-2-yl)-1H-imidazole-5-carbaldehyde

2-(4-propylmorpholin-2-yl)-1H-imidazole-5-carbaldehyde (PubChem CID 79657119) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-(4-propylmorpholin-2-yl)-1H-imidazole-5-carbaldehyde.

Molecular Properties

Compound Name2-(4-propylmorpholin-2-yl)-1H-imidazole-5-carbaldehyde
PubChem CID79657119
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name2-(4-propylmorpholin-2-yl)-1H-imidazole-5-carbaldehyde
SMILESCCCN1CCOC(c2ncc(C=O)[nH]2)C1
InChIInChI=1S/C11H17N3O2/c1-2-3-14-4-5-16-10(7-14)11-12-6-9(8-15)13-11/h6,8,10H,2-5,7H2,1H3,(H,12,13)
InChIKeyXKUPTUAWNSFEAJ-UHFFFAOYSA-N
XLogP1.01
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-(4-propylmorpholin-2-yl)-1H-imidazol-5-yl]methanamine
CID 79657962
6-methyl-2-(4-propylmorpholin-2-yl)pyrimidine-4-carbaldehyde
CID 79657111
2-(1,4-oxathian-2-yl)-1H-imidazole-5-carbaldehyde
CID 79970571
5-bromo-2-(4-ethylmorpholin-2-yl)-1H-pyrimidine-6-thione
CID 106480980
2-(4-propylmorpholin-2-yl)-1,3-thiazole-5-carboxylic acid
CID 79668919
(2R)-2-(5-methyl-1H-imidazol-2-yl)-4-(3-phenylpropyl)morpholine
CID 124987098
2-(4-propylmorpholin-2-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 79658032
5-bromo-6-ethyl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione
CID 106479746
5-bromo-2-(4-propylmorpholin-2-yl)pyrimidin-4-amine
CID 79657263
2-(5-methyl-1H-imidazol-2-yl)-4-(oxan-4-ylmethyl)morpholine
CID 110104945
5-bromo-6-propan-2-yl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione
CID 106480010
4-cyclopropyl-2-(4-propylmorpholin-2-yl)pyrimidine-5-carboxylic acid
CID 79664457

Frequently Asked Questions

What is the IUPAC name of 2-(4-propylmorpholin-2-yl)-1H-imidazole-5-carbaldehyde?
The IUPAC name of 2-(4-propylmorpholin-2-yl)-1H-imidazole-5-carbaldehyde (CID 79657119) is 2-(4-propylmorpholin-2-yl)-1H-imidazole-5-carbaldehyde.
What is the SMILES notation for 2-(4-propylmorpholin-2-yl)-1H-imidazole-5-carbaldehyde?
The canonical SMILES for 2-(4-propylmorpholin-2-yl)-1H-imidazole-5-carbaldehyde is CCCN1CCOC(c2ncc(C=O)[nH]2)C1.
What is the InChIKey of 2-(4-propylmorpholin-2-yl)-1H-imidazole-5-carbaldehyde?
The InChIKey is XKUPTUAWNSFEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-2-3-14-4-5-16-10(7-14)11-12-6-9(8-15)13-11/h6,8,10H,2-5,7H2,1H3,(H,12,13).
What are the key properties of 2-(4-propylmorpholin-2-yl)-1H-imidazole-5-carbaldehyde?
2-(4-propylmorpholin-2-yl)-1H-imidazole-5-carbaldehyde has a molecular weight of 223.28 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propylmorpholin-2-yl)-1H-imidazole-5-carbaldehyde is sourced from PubChem (CID 79657119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).