1-methyl-4-(morpholin-4-ylmethyl)pyrrole-2-carbaldehyde

C11H16N2O2 — CID 86650822

IUPAC1-methyl-4-(morpholin-4-ylmethyl)pyrrole-2-carbaldehyde
SMILESCn1cc(CN2CCOCC2)cc1C=O
InChIInChI=1S/C11H16N2O2/c1-12-7-10(6-11(12)9-14)8-13-2-4-15-5-3-13/h6-7,9H,2-5,8H2,1H3
InChIKeyCVHPTWYOHQPRTL-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.67
Rot. Bonds3

About 1-methyl-4-(morpholin-4-ylmethyl)pyrrole-2-carbaldehyde

1-methyl-4-(morpholin-4-ylmethyl)pyrrole-2-carbaldehyde (PubChem CID 86650822) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-methyl-4-(morpholin-4-ylmethyl)pyrrole-2-carbaldehyde.

Molecular Properties

Compound Name1-methyl-4-(morpholin-4-ylmethyl)pyrrole-2-carbaldehyde
PubChem CID86650822
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name1-methyl-4-(morpholin-4-ylmethyl)pyrrole-2-carbaldehyde
SMILESCn1cc(CN2CCOCC2)cc1C=O
InChIInChI=1S/C11H16N2O2/c1-12-7-10(6-11(12)9-14)8-13-2-4-15-5-3-13/h6-7,9H,2-5,8H2,1H3
InChIKeyCVHPTWYOHQPRTL-UHFFFAOYSA-N
XLogP0.67
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.67
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

2-hydroxy-3-methyl-5-(morpholin-4-ylmethyl)benzaldehyde
CID 122631498
2-methyl-5-(2-morpholin-4-ylethyl)benzaldehyde
CID 143796960
4-[(3,5-ditert-butylphenyl)methyl]morpholine
CID 59709271
4-[[4-(2,2-dimethylpropyl)phenyl]methyl]morpholine
CID 59743834
4-[(4-bromo-3,5-dimethylphenyl)methyl]morpholine
CID 170919244
4-[(3,5-difluoro-4-methylphenyl)methyl]morpholine
CID 178059917
1-methyl-3-(2-morpholin-4-ylethyl)pyrazole-4-carbaldehyde
CID 96605707
6-methyl-4-(morpholin-4-ylmethyl)-1H-pyridin-2-one
CID 174673146
4-[(4-ethyl-3-methylphenyl)methyl]morpholine
CID 71052307
2-[4-(morpholin-4-ylmethyl)phenyl]propan-2-amine
CID 82026958
4-[(4-fluorosulfonyloxy-3,5-dimethylphenyl)methyl]morpholine
CID 154879948
4-[[4-[3-[4-(morpholin-4-ylmethyl)-2,6-di(propan-2-yl)phenyl]imidazolidin-1-yl]-3,5-di(propan-2-yl)phenyl]methyl]morpholine
CID 140615553

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(morpholin-4-ylmethyl)pyrrole-2-carbaldehyde?
The IUPAC name of 1-methyl-4-(morpholin-4-ylmethyl)pyrrole-2-carbaldehyde (CID 86650822) is 1-methyl-4-(morpholin-4-ylmethyl)pyrrole-2-carbaldehyde.
What is the SMILES notation for 1-methyl-4-(morpholin-4-ylmethyl)pyrrole-2-carbaldehyde?
The canonical SMILES for 1-methyl-4-(morpholin-4-ylmethyl)pyrrole-2-carbaldehyde is Cn1cc(CN2CCOCC2)cc1C=O.
What is the InChIKey of 1-methyl-4-(morpholin-4-ylmethyl)pyrrole-2-carbaldehyde?
The InChIKey is CVHPTWYOHQPRTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-12-7-10(6-11(12)9-14)8-13-2-4-15-5-3-13/h6-7,9H,2-5,8H2,1H3.
What are the key properties of 1-methyl-4-(morpholin-4-ylmethyl)pyrrole-2-carbaldehyde?
1-methyl-4-(morpholin-4-ylmethyl)pyrrole-2-carbaldehyde has a molecular weight of 208.26 g/mol, XLogP of 0.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(morpholin-4-ylmethyl)pyrrole-2-carbaldehyde is sourced from PubChem (CID 86650822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).