N-methyl-N-[2-(1H-pyrrol-3-yl)ethyl]morpholine-3-carboxamide

C12H19N3O2 — CID 115177671

IUPACN-methyl-N-[2-(1H-pyrrol-3-yl)ethyl]morpholine-3-carboxamide
SMILESCN(CCc1cc[nH]c1)C(=O)C1COCCN1
InChIInChI=1S/C12H19N3O2/c1-15(6-3-10-2-4-13-8-10)12(16)11-9-17-7-5-14-11/h2,4,8,11,13-14H,3,5-7,9H2,1H3
InChIKeyMEJXYAHHDZAWFZ-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.00
Rot. Bonds4

About N-methyl-N-[2-(1H-pyrrol-3-yl)ethyl]morpholine-3-carboxamide

N-methyl-N-[2-(1H-pyrrol-3-yl)ethyl]morpholine-3-carboxamide (PubChem CID 115177671) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-methyl-N-[2-(1H-pyrrol-3-yl)ethyl]morpholine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-(1H-pyrrol-3-yl)ethyl]morpholine-3-carboxamide
PubChem CID115177671
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN-methyl-N-[2-(1H-pyrrol-3-yl)ethyl]morpholine-3-carboxamide
SMILESCN(CCc1cc[nH]c1)C(=O)C1COCCN1
InChIInChI=1S/C12H19N3O2/c1-15(6-3-10-2-4-13-8-10)12(16)11-9-17-7-5-14-11/h2,4,8,11,13-14H,3,5-7,9H2,1H3
InChIKeyMEJXYAHHDZAWFZ-UHFFFAOYSA-N
XLogP0.00
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-methyl-N-[2-(1H-pyrrol-3-yl)ethyl]morpholine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(4-fluorophenyl)ethyl]-N-methylmorpholine-3-carboxamide
CID 115177667
N-methyl-N-[2-(5-methylfuran-2-yl)ethyl]morpholine-3-carboxamide
CID 115177679
N-methyl-2-morpholin-3-yl-N-(1H-pyrrol-3-ylmethyl)acetamide
CID 115178144
(3R)-N-methyl-N-[2-(2-methylphenoxy)ethyl]morpholine-3-carboxamide
CID 124513206
N-methyl-N-(4-propylphenyl)morpholine-3-carboxamide
CID 115177584
N-methyl-N-[(2-methylphenyl)methyl]morpholine-3-carboxamide;hydrochloride
CID 119681680
(3S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylmorpholine-3-carboxamide
CID 124513193
N-[(2,3-dichlorophenyl)methyl]-N-methylmorpholine-3-carboxamide;hydrochloride
CID 119682446
N-[(4-hydroxyoxan-4-yl)methyl]-N-methylmorpholine-3-carboxamide
CID 114949080
N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]morpholine-3-carboxamide
CID 119694754
2-amino-3-hydroxy-N-methyl-N-[2-(1H-pyrrol-3-yl)ethyl]propanamide
CID 115180157
2-[methyl-[2-(1H-pyrrol-3-yl)ethyl]carbamoyl]butanoic acid
CID 115186091

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(1H-pyrrol-3-yl)ethyl]morpholine-3-carboxamide?
The IUPAC name of N-methyl-N-[2-(1H-pyrrol-3-yl)ethyl]morpholine-3-carboxamide (CID 115177671) is N-methyl-N-[2-(1H-pyrrol-3-yl)ethyl]morpholine-3-carboxamide.
What is the SMILES notation for N-methyl-N-[2-(1H-pyrrol-3-yl)ethyl]morpholine-3-carboxamide?
The canonical SMILES for N-methyl-N-[2-(1H-pyrrol-3-yl)ethyl]morpholine-3-carboxamide is CN(CCc1cc[nH]c1)C(=O)C1COCCN1.
What is the InChIKey of N-methyl-N-[2-(1H-pyrrol-3-yl)ethyl]morpholine-3-carboxamide?
The InChIKey is MEJXYAHHDZAWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-15(6-3-10-2-4-13-8-10)12(16)11-9-17-7-5-14-11/h2,4,8,11,13-14H,3,5-7,9H2,1H3.
What are the key properties of N-methyl-N-[2-(1H-pyrrol-3-yl)ethyl]morpholine-3-carboxamide?
N-methyl-N-[2-(1H-pyrrol-3-yl)ethyl]morpholine-3-carboxamide has a molecular weight of 237.30 g/mol, XLogP of 0.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(1H-pyrrol-3-yl)ethyl]morpholine-3-carboxamide is sourced from PubChem (CID 115177671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).