methyl 4-(1-propan-2-ylpyrrole-2-carbonyl)morpholine-3-carboxylate

C14H20N2O4 — CID 115869308

IUPACmethyl 4-(1-propan-2-ylpyrrole-2-carbonyl)morpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1C(=O)c1cccn1C(C)C
InChIInChI=1S/C14H20N2O4/c1-10(2)15-6-4-5-11(15)13(17)16-7-8-20-9-12(16)14(18)19-3/h4-6,10,12H,7-9H2,1-3H3
InChIKeyRVERJEHCFVNQOI-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.08
Rot. Bonds3

About methyl 4-(1-propan-2-ylpyrrole-2-carbonyl)morpholine-3-carboxylate

methyl 4-(1-propan-2-ylpyrrole-2-carbonyl)morpholine-3-carboxylate (PubChem CID 115869308) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is methyl 4-(1-propan-2-ylpyrrole-2-carbonyl)morpholine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(1-propan-2-ylpyrrole-2-carbonyl)morpholine-3-carboxylate
PubChem CID115869308
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Namemethyl 4-(1-propan-2-ylpyrrole-2-carbonyl)morpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1C(=O)c1cccn1C(C)C
InChIInChI=1S/C14H20N2O4/c1-10(2)15-6-4-5-11(15)13(17)16-7-8-20-9-12(16)14(18)19-3/h4-6,10,12H,7-9H2,1-3H3
InChIKeyRVERJEHCFVNQOI-UHFFFAOYSA-N
XLogP1.08
TPSA60.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-(2,3-dimethylbutanoyl)morpholine-3-carboxylate
CID 115670189
methyl 4-(2-fluoro-6-hydroxybenzoyl)morpholine-3-carboxylate
CID 104919956
methyl 4-(3-chlorobenzoyl)morpholine-3-carboxylate
CID 113247579
methyl 4-(4-amino-1-methylpyrrole-2-carbonyl)morpholine-3-carboxylate
CID 104774354
methyl 4-(2,2-difluoroacetyl)morpholine-3-carboxylate
CID 103514384
methyl 4-(2-amino-3-methoxybenzoyl)morpholine-3-carboxylate
CID 104774421
methyl 4-(4-amino-3-methylbenzoyl)morpholine-3-carboxylate
CID 104774380
methyl (3R)-4-(3-hydroxy-4-methylbenzoyl)morpholine-3-carboxylate
CID 124603692
methyl 4-(pyrazolo[1,5-a]pyridine-3-carbonyl)morpholine-3-carboxylate
CID 103719037
methyl 4-(2,2-dimethylpropanoyl)morpholine-3-carboxylate
CID 104774844
1-(1-propan-2-ylpyrrole-2-carbonyl)azepane-2-carboxylic acid
CID 64561262
methyl 4-(3-chlorothiophene-2-carbonyl)morpholine-3-carboxylate
CID 104774896

Frequently Asked Questions

What is the IUPAC name of methyl 4-(1-propan-2-ylpyrrole-2-carbonyl)morpholine-3-carboxylate?
The IUPAC name of methyl 4-(1-propan-2-ylpyrrole-2-carbonyl)morpholine-3-carboxylate (CID 115869308) is methyl 4-(1-propan-2-ylpyrrole-2-carbonyl)morpholine-3-carboxylate.
What is the SMILES notation for methyl 4-(1-propan-2-ylpyrrole-2-carbonyl)morpholine-3-carboxylate?
The canonical SMILES for methyl 4-(1-propan-2-ylpyrrole-2-carbonyl)morpholine-3-carboxylate is COC(=O)C1COCCN1C(=O)c1cccn1C(C)C.
What is the InChIKey of methyl 4-(1-propan-2-ylpyrrole-2-carbonyl)morpholine-3-carboxylate?
The InChIKey is RVERJEHCFVNQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-10(2)15-6-4-5-11(15)13(17)16-7-8-20-9-12(16)14(18)19-3/h4-6,10,12H,7-9H2,1-3H3.
What are the key properties of methyl 4-(1-propan-2-ylpyrrole-2-carbonyl)morpholine-3-carboxylate?
methyl 4-(1-propan-2-ylpyrrole-2-carbonyl)morpholine-3-carboxylate has a molecular weight of 280.32 g/mol, XLogP of 1.08, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(1-propan-2-ylpyrrole-2-carbonyl)morpholine-3-carboxylate is sourced from PubChem (CID 115869308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).