methyl 4-(1H-indole-2-carbonyl)morpholine-3-carboxylate

C15H16N2O4 — CID 115670212

IUPACmethyl 4-(1H-indole-2-carbonyl)morpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1C(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C15H16N2O4/c1-20-15(19)13-9-21-7-6-17(13)14(18)12-8-10-4-2-3-5-11(10)16-12/h2-5,8,13,16H,6-7,9H2,1H3
InChIKeyGAXDVCZCVGEOJV-UHFFFAOYSA-N
MW288.30 g/mol
LogP1.18
Rot. Bonds2

About methyl 4-(1H-indole-2-carbonyl)morpholine-3-carboxylate

methyl 4-(1H-indole-2-carbonyl)morpholine-3-carboxylate (PubChem CID 115670212) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is methyl 4-(1H-indole-2-carbonyl)morpholine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(1H-indole-2-carbonyl)morpholine-3-carboxylate
PubChem CID115670212
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Namemethyl 4-(1H-indole-2-carbonyl)morpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1C(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C15H16N2O4/c1-20-15(19)13-9-21-7-6-17(13)14(18)12-8-10-4-2-3-5-11(10)16-12/h2-5,8,13,16H,6-7,9H2,1H3
InChIKeyGAXDVCZCVGEOJV-UHFFFAOYSA-N
XLogP1.18
TPSA71.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-1-(1H-indole-2-carbonyl)piperidine-2-carboxylate
CID 93317948
1H-indol-2-yl-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]methanone
CID 124988103
[(3S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-(1H-indol-2-yl)methanone
CID 97251880
[(3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-(1H-indol-2-yl)methanone
CID 97251879
1H-indol-2-yl(morpholin-4-yl)methanone
CID 825286
1H-indol-2-yl-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methanone
CID 75471254
[3-[1-(cyclopropylmethyl)piperidin-4-yl]oxymorpholin-4-yl]-(1H-indol-2-yl)methanone
CID 69483501
methyl 4-(3-chlorobenzoyl)morpholine-3-carboxylate
CID 113247579
methyl 4-(2-fluoro-6-hydroxybenzoyl)morpholine-3-carboxylate
CID 104919956
2-[(3R)-4-(1H-indole-2-carbonyl)morpholin-3-yl]-1-thiophen-2-ylethanone
CID 95975192
methyl (3R)-4-(3-hydroxy-4-methylbenzoyl)morpholine-3-carboxylate
CID 124603692
methyl 4-(4-amino-3-methylbenzoyl)morpholine-3-carboxylate
CID 104774380

Frequently Asked Questions

What is the IUPAC name of methyl 4-(1H-indole-2-carbonyl)morpholine-3-carboxylate?
The IUPAC name of methyl 4-(1H-indole-2-carbonyl)morpholine-3-carboxylate (CID 115670212) is methyl 4-(1H-indole-2-carbonyl)morpholine-3-carboxylate.
What is the SMILES notation for methyl 4-(1H-indole-2-carbonyl)morpholine-3-carboxylate?
The canonical SMILES for methyl 4-(1H-indole-2-carbonyl)morpholine-3-carboxylate is COC(=O)C1COCCN1C(=O)c1cc2ccccc2[nH]1.
What is the InChIKey of methyl 4-(1H-indole-2-carbonyl)morpholine-3-carboxylate?
The InChIKey is GAXDVCZCVGEOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-20-15(19)13-9-21-7-6-17(13)14(18)12-8-10-4-2-3-5-11(10)16-12/h2-5,8,13,16H,6-7,9H2,1H3.
What are the key properties of methyl 4-(1H-indole-2-carbonyl)morpholine-3-carboxylate?
methyl 4-(1H-indole-2-carbonyl)morpholine-3-carboxylate has a molecular weight of 288.30 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(1H-indole-2-carbonyl)morpholine-3-carboxylate is sourced from PubChem (CID 115670212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).