[(4S)-3,4-dihydro-2H-chromen-4-yl]-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]methanone

C19H22N2O2 — CID 124606874

IUPAC[(4S)-3,4-dihydro-2H-chromen-4-yl]-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]methanone
SMILESCn1cccc1[C@@H]1CCCN1C(=O)[C@H]1CCOc2ccccc21
InChIInChI=1S/C19H22N2O2/c1-20-11-4-7-16(20)17-8-5-12-21(17)19(22)15-10-13-23-18-9-3-2-6-14(15)18/h2-4,6-7,9,11,15,17H,5,8,10,12-13H2,1H3/t15-,17-/m0/s1
InChIKeyWRMVKAJRCMHLMR-RDJZCZTQSA-N
MW310.40 g/mol
LogP3.25
Rot. Bonds2

About [(4S)-3,4-dihydro-2H-chromen-4-yl]-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]methanone

[(4S)-3,4-dihydro-2H-chromen-4-yl]-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]methanone (PubChem CID 124606874) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is [(4S)-3,4-dihydro-2H-chromen-4-yl]-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[(4S)-3,4-dihydro-2H-chromen-4-yl]-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]methanone
PubChem CID124606874
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name[(4S)-3,4-dihydro-2H-chromen-4-yl]-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]methanone
SMILESCn1cccc1[C@@H]1CCCN1C(=O)[C@H]1CCOc2ccccc21
InChIInChI=1S/C19H22N2O2/c1-20-11-4-7-16(20)17-8-5-12-21(17)19(22)15-10-13-23-18-9-3-2-6-14(15)18/h2-4,6-7,9,11,15,17H,5,8,10,12-13H2,1H3/t15-,17-/m0/s1
InChIKeyWRMVKAJRCMHLMR-RDJZCZTQSA-N
XLogP3.25
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dihydro-2H-chromen-4-yl-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]methanone
CID 86951232
2-[1-(3,4-dihydro-2H-chromene-4-carbonyl)pyrrolidin-2-yl]acetic acid
CID 63709189
3,4-dihydro-2H-chromen-4-yl-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 63710482
[(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 1-(3,4-dihydro-2H-chromene-4-carbonyl)pyrrolidine-2-carboxylate
CID 63184336
[2-(aminomethyl)piperidin-1-yl]-(3,4-dihydro-2H-chromen-4-yl)methanone
CID 63709950
cyclopropyl-[(2S)-2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone
CID 94819352
[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[(4R)-3,4-dihydro-2H-chromen-4-yl]methanone
CID 97016768
(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide
CID 94811192
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
N,N-diethyl-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-2-oxoethanesulfonamide
CID 95903641

Frequently Asked Questions

What is the IUPAC name of [(4S)-3,4-dihydro-2H-chromen-4-yl]-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of [(4S)-3,4-dihydro-2H-chromen-4-yl]-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]methanone (CID 124606874) is [(4S)-3,4-dihydro-2H-chromen-4-yl]-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [(4S)-3,4-dihydro-2H-chromen-4-yl]-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [(4S)-3,4-dihydro-2H-chromen-4-yl]-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]methanone is Cn1cccc1[C@@H]1CCCN1C(=O)[C@H]1CCOc2ccccc21.
What is the InChIKey of [(4S)-3,4-dihydro-2H-chromen-4-yl]-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]methanone?
The InChIKey is WRMVKAJRCMHLMR-RDJZCZTQSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-20-11-4-7-16(20)17-8-5-12-21(17)19(22)15-10-13-23-18-9-3-2-6-14(15)18/h2-4,6-7,9,11,15,17H,5,8,10,12-13H2,1H3/t15-,17-/m0/s1.
What are the key properties of [(4S)-3,4-dihydro-2H-chromen-4-yl]-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]methanone?
[(4S)-3,4-dihydro-2H-chromen-4-yl]-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]methanone has a molecular weight of 310.40 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-3,4-dihydro-2H-chromen-4-yl]-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 124606874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).