[(3R)-3-aminopyrrolidin-1-yl]-(3,4-dihydro-2H-chromen-4-yl)methanone

C14H18N2O2 — CID 81468969

IUPAC[(3R)-3-aminopyrrolidin-1-yl]-(3,4-dihydro-2H-chromen-4-yl)methanone
SMILESN[C@@H]1CCN(C(=O)C2CCOc3ccccc32)C1
InChIInChI=1S/C14H18N2O2/c15-10-5-7-16(9-10)14(17)12-6-8-18-13-4-2-1-3-11(12)13/h1-4,10,12H,5-9,15H2/t10-,12?/m1/s1
InChIKeyDFKBAINOVFULJR-RWANSRKNSA-N
MW246.31 g/mol
LogP1.11
Rot. Bonds1

About [(3R)-3-aminopyrrolidin-1-yl]-(3,4-dihydro-2H-chromen-4-yl)methanone

[(3R)-3-aminopyrrolidin-1-yl]-(3,4-dihydro-2H-chromen-4-yl)methanone (PubChem CID 81468969) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is [(3R)-3-aminopyrrolidin-1-yl]-(3,4-dihydro-2H-chromen-4-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-aminopyrrolidin-1-yl]-(3,4-dihydro-2H-chromen-4-yl)methanone
PubChem CID81468969
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name[(3R)-3-aminopyrrolidin-1-yl]-(3,4-dihydro-2H-chromen-4-yl)methanone
SMILESN[C@@H]1CCN(C(=O)C2CCOc3ccccc32)C1
InChIInChI=1S/C14H18N2O2/c15-10-5-7-16(9-10)14(17)12-6-8-18-13-4-2-1-3-11(12)13/h1-4,10,12H,5-9,15H2/t10-,12?/m1/s1
InChIKeyDFKBAINOVFULJR-RWANSRKNSA-N
XLogP1.11
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(aminomethyl)pyrrolidin-1-yl]-(3,4-dihydro-2H-chromen-4-yl)methanone
CID 55228016
3,4-dihydro-2H-chromen-4-yl-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 115746703
[(4R)-3,4-dihydro-2H-chromen-4-yl]-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 124556473
[4-(bromomethyl)piperidin-1-yl]-(3,4-dihydro-2H-chromen-4-yl)methanone
CID 80678666
(3-amino-4-methylpyrrolidin-1-yl)-(3,4-dihydro-2H-chromen-4-yl)methanone
CID 103575894
3-[(3S)-1-[(4R)-3,4-dihydro-2H-chromene-4-carbonyl]piperidin-3-yl]propanoic acid
CID 124700551
3,4-dihydro-2H-chromen-4-yl-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 63709581
(3S)-1-(3,4-dihydro-2H-chromene-4-carbonyl)piperidine-3-carboxylic acid
CID 81120261
(3R)-1-(3,4-dihydro-2H-chromene-4-carbonyl)piperidine-3-carboxylic acid
CID 81127945
[1-(3,4-dihydro-2H-chromene-4-carbonyl)piperidin-4-yl] hypofluorite
CID 134242940
3,4-dihydro-2H-chromen-4-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63710835
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(3,4-dihydro-2H-chromen-4-yl)methanone
CID 120748454

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-aminopyrrolidin-1-yl]-(3,4-dihydro-2H-chromen-4-yl)methanone?
The IUPAC name of [(3R)-3-aminopyrrolidin-1-yl]-(3,4-dihydro-2H-chromen-4-yl)methanone (CID 81468969) is [(3R)-3-aminopyrrolidin-1-yl]-(3,4-dihydro-2H-chromen-4-yl)methanone.
What is the SMILES notation for [(3R)-3-aminopyrrolidin-1-yl]-(3,4-dihydro-2H-chromen-4-yl)methanone?
The canonical SMILES for [(3R)-3-aminopyrrolidin-1-yl]-(3,4-dihydro-2H-chromen-4-yl)methanone is N[C@@H]1CCN(C(=O)C2CCOc3ccccc32)C1.
What is the InChIKey of [(3R)-3-aminopyrrolidin-1-yl]-(3,4-dihydro-2H-chromen-4-yl)methanone?
The InChIKey is DFKBAINOVFULJR-RWANSRKNSA-N. The full InChI is InChI=1S/C14H18N2O2/c15-10-5-7-16(9-10)14(17)12-6-8-18-13-4-2-1-3-11(12)13/h1-4,10,12H,5-9,15H2/t10-,12?/m1/s1.
What are the key properties of [(3R)-3-aminopyrrolidin-1-yl]-(3,4-dihydro-2H-chromen-4-yl)methanone?
[(3R)-3-aminopyrrolidin-1-yl]-(3,4-dihydro-2H-chromen-4-yl)methanone has a molecular weight of 246.31 g/mol, XLogP of 1.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-aminopyrrolidin-1-yl]-(3,4-dihydro-2H-chromen-4-yl)methanone is sourced from PubChem (CID 81468969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).