1-[(4-ethylmorpholin-2-yl)methyl]pyrrole-3-carbaldehyde

C12H18N2O2 — CID 79182621

IUPAC1-[(4-ethylmorpholin-2-yl)methyl]pyrrole-3-carbaldehyde
SMILESCCN1CCOC(Cn2ccc(C=O)c2)C1
InChIInChI=1S/C12H18N2O2/c1-2-13-5-6-16-12(8-13)9-14-4-3-11(7-14)10-15/h3-4,7,10,12H,2,5-6,8-9H2,1H3
InChIKeyWKSZAVCTCPVNKN-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.02
Rot. Bonds4

About 1-[(4-ethylmorpholin-2-yl)methyl]pyrrole-3-carbaldehyde

1-[(4-ethylmorpholin-2-yl)methyl]pyrrole-3-carbaldehyde (PubChem CID 79182621) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-[(4-ethylmorpholin-2-yl)methyl]pyrrole-3-carbaldehyde.

Molecular Properties

Compound Name1-[(4-ethylmorpholin-2-yl)methyl]pyrrole-3-carbaldehyde
PubChem CID79182621
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name1-[(4-ethylmorpholin-2-yl)methyl]pyrrole-3-carbaldehyde
SMILESCCN1CCOC(Cn2ccc(C=O)c2)C1
InChIInChI=1S/C12H18N2O2/c1-2-13-5-6-16-12(8-13)9-14-4-3-11(7-14)10-15/h3-4,7,10,12H,2,5-6,8-9H2,1H3
InChIKeyWKSZAVCTCPVNKN-UHFFFAOYSA-N
XLogP1.02
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.02
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

cyclopropyl-[1-[(4-ethylmorpholin-2-yl)methyl]pyrrol-3-yl]methanamine
CID 79183162
1-(4-ethylmorpholin-2-yl)-N-[(1-ethylpyrrol-3-yl)methyl]methanamine
CID 114399548
3-[(4-ethylmorpholin-2-yl)methylsulfanyl]benzaldehyde
CID 79182841
1-[(4-ethylmorpholin-2-yl)methyl]pyrrole-2,5-dione
CID 114400408
1-[(4-ethylmorpholin-2-yl)methyl]piperidine-4-carbaldehyde
CID 79182828
2-[(4-ethylmorpholin-2-yl)methyl]pyrazole-3-carboxylic acid
CID 79172074
2,4-diethylmorpholine
CID 58988021
1-[(4-ethylmorpholin-2-yl)methyl]pyrimidin-2-one
CID 116618394
N-ethyl-1-[1-[(4-ethylmorpholin-2-yl)methyl]pyrrol-2-yl]ethanamine
CID 79182288
2-[(4-ethylmorpholin-2-yl)methoxy]-3-methylbenzaldehyde
CID 112611039
2-[(4-ethylmorpholin-2-yl)methyl]-4,5,6,7-tetrahydroisoindol-4-ol
CID 83208839
1-[3-(oxolan-2-yl)propyl]pyrrole-3-carbaldehyde
CID 66408577

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethylmorpholin-2-yl)methyl]pyrrole-3-carbaldehyde?
The IUPAC name of 1-[(4-ethylmorpholin-2-yl)methyl]pyrrole-3-carbaldehyde (CID 79182621) is 1-[(4-ethylmorpholin-2-yl)methyl]pyrrole-3-carbaldehyde.
What is the SMILES notation for 1-[(4-ethylmorpholin-2-yl)methyl]pyrrole-3-carbaldehyde?
The canonical SMILES for 1-[(4-ethylmorpholin-2-yl)methyl]pyrrole-3-carbaldehyde is CCN1CCOC(Cn2ccc(C=O)c2)C1.
What is the InChIKey of 1-[(4-ethylmorpholin-2-yl)methyl]pyrrole-3-carbaldehyde?
The InChIKey is WKSZAVCTCPVNKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-2-13-5-6-16-12(8-13)9-14-4-3-11(7-14)10-15/h3-4,7,10,12H,2,5-6,8-9H2,1H3.
What are the key properties of 1-[(4-ethylmorpholin-2-yl)methyl]pyrrole-3-carbaldehyde?
1-[(4-ethylmorpholin-2-yl)methyl]pyrrole-3-carbaldehyde has a molecular weight of 222.29 g/mol, XLogP of 1.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethylmorpholin-2-yl)methyl]pyrrole-3-carbaldehyde is sourced from PubChem (CID 79182621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).