methyl 1-(3,4-dihydro-2H-chromene-4-carbonyl)pyrrolidine-2-carboxylate

C16H19NO4 — CID 63184336

IUPACmethyl 1-(3,4-dihydro-2H-chromene-4-carbonyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)C1CCOc2ccccc21
InChIInChI=1S/C16H19NO4/c1-20-16(19)13-6-4-9-17(13)15(18)12-8-10-21-14-7-3-2-5-11(12)14/h2-3,5,7,12-13H,4,6,8-10H2,1H3
InChIKeyDZYKKWZZMQIBKN-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.72
Rot. Bonds2

About methyl 1-(3,4-dihydro-2H-chromene-4-carbonyl)pyrrolidine-2-carboxylate

methyl 1-(3,4-dihydro-2H-chromene-4-carbonyl)pyrrolidine-2-carboxylate (PubChem CID 63184336) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is methyl 1-(3,4-dihydro-2H-chromene-4-carbonyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(3,4-dihydro-2H-chromene-4-carbonyl)pyrrolidine-2-carboxylate
PubChem CID63184336
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Namemethyl 1-(3,4-dihydro-2H-chromene-4-carbonyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)C1CCOc2ccccc21
InChIInChI=1S/C16H19NO4/c1-20-16(19)13-6-4-9-17(13)15(18)12-8-10-21-14-7-3-2-5-11(12)14/h2-3,5,7,12-13H,4,6,8-10H2,1H3
InChIKeyDZYKKWZZMQIBKN-UHFFFAOYSA-N
XLogP1.72
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dihydro-2H-chromen-4-yl-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 63710482
3,4-dihydro-2H-chromen-4-yl-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]methanone
CID 86951232
[(4S)-3,4-dihydro-2H-chromen-4-yl]-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]methanone
CID 124606874
[2-(aminomethyl)piperidin-1-yl]-(3,4-dihydro-2H-chromen-4-yl)methanone
CID 63709950
3,4-dihydro-2H-chromen-4-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63710835
3,4-dihydro-2H-chromen-4-yl-(4-ethylpiperazin-1-yl)methanone
CID 110647806
[(4R)-3,4-dihydro-2H-chromen-4-yl]-[(2S)-2-methylpiperazin-1-yl]methanone
CID 124556470
1-(2,3-dihydro-1-benzofuran-3-carbonyl)-N'-hydroxypyrrolidine-2-carboximidamide
CID 77036122
methyl 1-(3,4-dihydro-2H-chromen-4-ylmethyl)piperidine-3-carboxylate
CID 115880145
[(4R)-3,4-dihydro-2H-chromen-4-yl]-[(2S)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone
CID 95299285
methyl (2S)-1-[(2S)-1-[2-(2,3-dihydro-1H-inden-1-yl)acetyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate
CID 70047932
[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[(4R)-3,4-dihydro-2H-chromen-4-yl]methanone
CID 97016768

Frequently Asked Questions

What is the IUPAC name of methyl 1-(3,4-dihydro-2H-chromene-4-carbonyl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-(3,4-dihydro-2H-chromene-4-carbonyl)pyrrolidine-2-carboxylate (CID 63184336) is methyl 1-(3,4-dihydro-2H-chromene-4-carbonyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-(3,4-dihydro-2H-chromene-4-carbonyl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-(3,4-dihydro-2H-chromene-4-carbonyl)pyrrolidine-2-carboxylate is COC(=O)C1CCCN1C(=O)C1CCOc2ccccc21.
What is the InChIKey of methyl 1-(3,4-dihydro-2H-chromene-4-carbonyl)pyrrolidine-2-carboxylate?
The InChIKey is DZYKKWZZMQIBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c1-20-16(19)13-6-4-9-17(13)15(18)12-8-10-21-14-7-3-2-5-11(12)14/h2-3,5,7,12-13H,4,6,8-10H2,1H3.
What are the key properties of methyl 1-(3,4-dihydro-2H-chromene-4-carbonyl)pyrrolidine-2-carboxylate?
methyl 1-(3,4-dihydro-2H-chromene-4-carbonyl)pyrrolidine-2-carboxylate has a molecular weight of 289.33 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(3,4-dihydro-2H-chromene-4-carbonyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 63184336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).