methyl 5-methyl-5-(2-morpholin-4-ylethylcarbamoyl)-2H-pyrrole-1-carboxylate

C14H23N3O4 — CID 5459678

IUPACmethyl 5-methyl-5-(2-morpholin-4-ylethylcarbamoyl)-2H-pyrrole-1-carboxylate
SMILESCOC(=O)N1CC=CC1(C)C(=O)NCCN1CCOCC1
InChIInChI=1S/C14H23N3O4/c1-14(4-3-6-17(14)13(19)20-2)12(18)15-5-7-16-8-10-21-11-9-16/h3-4H,5-11H2,1-2H3,(H,15,18)
InChIKeyOCUMJLXNRUKLII-UHFFFAOYSA-N
MW297.36 g/mol
LogP-0.17
Rot. Bonds4

About methyl 5-methyl-5-(2-morpholin-4-ylethylcarbamoyl)-2H-pyrrole-1-carboxylate

methyl 5-methyl-5-(2-morpholin-4-ylethylcarbamoyl)-2H-pyrrole-1-carboxylate (PubChem CID 5459678) has the molecular formula C14H23N3O4 and a molecular weight of 297.36 g/mol. Its IUPAC name is methyl 5-methyl-5-(2-morpholin-4-ylethylcarbamoyl)-2H-pyrrole-1-carboxylate.

Molecular Properties

Compound Namemethyl 5-methyl-5-(2-morpholin-4-ylethylcarbamoyl)-2H-pyrrole-1-carboxylate
PubChem CID5459678
Molecular FormulaC14H23N3O4
Molecular Weight297.36 g/mol
Exact Mass297.17
IUPAC Namemethyl 5-methyl-5-(2-morpholin-4-ylethylcarbamoyl)-2H-pyrrole-1-carboxylate
SMILESCOC(=O)N1CC=CC1(C)C(=O)NCCN1CCOCC1
InChIInChI=1S/C14H23N3O4/c1-14(4-3-6-17(14)13(19)20-2)12(18)15-5-7-16-8-10-21-11-9-16/h3-4H,5-11H2,1-2H3,(H,15,18)
InChIKeyOCUMJLXNRUKLII-UHFFFAOYSA-N
XLogP-0.17
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-acetyl-N-(2-methoxyethyl)-5-methyl-2H-pyrrole-5-carboxamide
CID 5459669
(2S)-N-methyl-N-(2-morpholin-4-ylethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 171359447
methyl N-[(4E)-6-amino-3-(propylcarbamoyl)hexa-1,4-dien-3-yl]-N-propylcarbamate
CID 20545561
methyl N-[6-amino-3-(propylcarbamoyl)hexa-1,4-dien-3-yl]-N-propylcarbamate
CID 54204376
tert-butyl 2-[[(2S)-1-(3,6-dihydro-2H-pyridin-1-yl)-1-oxopropan-2-yl]amino]acetate
CID 57026000
tert-butyl N-[(2R)-1-morpholin-4-yl-1-oxobut-3-en-2-yl]carbamate
CID 134243809
5-Methoxy-6-methyl-1-pent-2-enylpiperazin-1-ium-2-one
CID 163602229
ethyl 2-[(5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxo-2,5-dihydropyridin-1-yl]acetate
CID 11109296
N-(2-methyl-2-morpholin-4-ylpropyl)-2-(prop-2-enylamino)acetamide
CID 78914224
N-(2-methoxyethyl)-2-methyl-2-piperazin-1-yl-N-prop-2-enylpropanamide
CID 103338802
N-(2-but-3-enoxyethyl)-2-methyl-2-piperazin-1-ylpropanamide
CID 106398234
1-(2-But-3-enoxyethyl)-3,3-dimethylpiperazine-2,5-dione
CID 114185336

Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-5-(2-morpholin-4-ylethylcarbamoyl)-2H-pyrrole-1-carboxylate?
The IUPAC name of methyl 5-methyl-5-(2-morpholin-4-ylethylcarbamoyl)-2H-pyrrole-1-carboxylate (CID 5459678) is methyl 5-methyl-5-(2-morpholin-4-ylethylcarbamoyl)-2H-pyrrole-1-carboxylate.
What is the SMILES notation for methyl 5-methyl-5-(2-morpholin-4-ylethylcarbamoyl)-2H-pyrrole-1-carboxylate?
The canonical SMILES for methyl 5-methyl-5-(2-morpholin-4-ylethylcarbamoyl)-2H-pyrrole-1-carboxylate is COC(=O)N1CC=CC1(C)C(=O)NCCN1CCOCC1.
What is the InChIKey of methyl 5-methyl-5-(2-morpholin-4-ylethylcarbamoyl)-2H-pyrrole-1-carboxylate?
The InChIKey is OCUMJLXNRUKLII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4/c1-14(4-3-6-17(14)13(19)20-2)12(18)15-5-7-16-8-10-21-11-9-16/h3-4H,5-11H2,1-2H3,(H,15,18).
What are the key properties of methyl 5-methyl-5-(2-morpholin-4-ylethylcarbamoyl)-2H-pyrrole-1-carboxylate?
methyl 5-methyl-5-(2-morpholin-4-ylethylcarbamoyl)-2H-pyrrole-1-carboxylate has a molecular weight of 297.36 g/mol, XLogP of -0.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-5-(2-morpholin-4-ylethylcarbamoyl)-2H-pyrrole-1-carboxylate is sourced from PubChem (CID 5459678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).