1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrole-2-carbaldehyde

C13H20N2O2 — CID 66407258

IUPAC1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrole-2-carbaldehyde
SMILESCC(C)N1CCOC(Cn2cccc2C=O)C1
InChIInChI=1S/C13H20N2O2/c1-11(2)14-6-7-17-13(8-14)9-15-5-3-4-12(15)10-16/h3-5,10-11,13H,6-9H2,1-2H3
InChIKeySHVYQZRZCGJOBA-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.41
Rot. Bonds4

About 1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrole-2-carbaldehyde

1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrole-2-carbaldehyde (PubChem CID 66407258) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrole-2-carbaldehyde.

Molecular Properties

Compound Name1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrole-2-carbaldehyde
PubChem CID66407258
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrole-2-carbaldehyde
SMILESCC(C)N1CCOC(Cn2cccc2C=O)C1
InChIInChI=1S/C13H20N2O2/c1-11(2)14-6-7-17-13(8-14)9-15-5-3-4-12(15)10-16/h3-5,10-11,13H,6-9H2,1-2H3
InChIKeySHVYQZRZCGJOBA-UHFFFAOYSA-N
XLogP1.41
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(1,4-dioxan-2-ylmethyl)pyrrole-2-carbaldehyde
CID 61023599
1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidine-2,4-dione
CID 64533566
N-[1-[1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrol-2-yl]ethyl]propan-1-amine
CID 79108697
3-methyl-1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrole-2-carboxylic acid
CID 102604816
[1-[(4-propan-2-ylmorpholin-2-yl)methyl]indol-4-yl]methanamine
CID 64532953
2-[(5-methylindol-1-yl)methyl]-4-propan-2-ylmorpholine
CID 116622956
5-amino-1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidine-2,4-dione
CID 64535130
1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrole-3-carboxylic acid
CID 79104478
3-methyl-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzaldehyde
CID 115955541
2-[(4,6-dichloroindol-1-yl)methyl]-4-propan-2-ylmorpholine
CID 103428431
2-[(5-methylpyrazol-1-yl)methyl]-4-propan-2-ylmorpholine
CID 64534558
5,6-dichloro-3-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrimidin-4-one
CID 114583244

Frequently Asked Questions

What is the IUPAC name of 1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrole-2-carbaldehyde?
The IUPAC name of 1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrole-2-carbaldehyde (CID 66407258) is 1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrole-2-carbaldehyde.
What is the SMILES notation for 1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrole-2-carbaldehyde?
The canonical SMILES for 1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrole-2-carbaldehyde is CC(C)N1CCOC(Cn2cccc2C=O)C1.
What is the InChIKey of 1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrole-2-carbaldehyde?
The InChIKey is SHVYQZRZCGJOBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-11(2)14-6-7-17-13(8-14)9-15-5-3-4-12(15)10-16/h3-5,10-11,13H,6-9H2,1-2H3.
What are the key properties of 1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrole-2-carbaldehyde?
1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrole-2-carbaldehyde has a molecular weight of 236.31 g/mol, XLogP of 1.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrole-2-carbaldehyde is sourced from PubChem (CID 66407258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).