[(3R,4R)-3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl]-(3,4-dihydro-2H-chromen-6-yl)methanone

C19H25NO3 — CID 72849140

IUPAC[(3R,4R)-3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl]-(3,4-dihydro-2H-chromen-6-yl)methanone
SMILESC[C@@H]1CN(C(=O)c2ccc3c(c2)CCCO3)C[C@@]1(O)C1CCC1
InChIInChI=1S/C19H25NO3/c1-13-11-20(12-19(13,22)16-5-2-6-16)18(21)15-7-8-17-14(10-15)4-3-9-23-17/h7-8,10,13,16,22H,2-6,9,11-12H2,1H3/t13-,19+/m1/s1
InChIKeyUYMOCWSHJGGHFH-YJYMSZOUSA-N
MW315.41 g/mol
LogP2.63
Rot. Bonds2

About [(3R,4R)-3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl]-(3,4-dihydro-2H-chromen-6-yl)methanone

[(3R,4R)-3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl]-(3,4-dihydro-2H-chromen-6-yl)methanone (PubChem CID 72849140) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is [(3R,4R)-3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl]-(3,4-dihydro-2H-chromen-6-yl)methanone.

Molecular Properties

Compound Name[(3R,4R)-3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl]-(3,4-dihydro-2H-chromen-6-yl)methanone
PubChem CID72849140
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name[(3R,4R)-3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl]-(3,4-dihydro-2H-chromen-6-yl)methanone
SMILESC[C@@H]1CN(C(=O)c2ccc3c(c2)CCCO3)C[C@@]1(O)C1CCC1
InChIInChI=1S/C19H25NO3/c1-13-11-20(12-19(13,22)16-5-2-6-16)18(21)15-7-8-17-14(10-15)4-3-9-23-17/h7-8,10,13,16,22H,2-6,9,11-12H2,1H3/t13-,19+/m1/s1
InChIKeyUYMOCWSHJGGHFH-YJYMSZOUSA-N
XLogP2.63
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,7-bis(3,4-dihydro-2H-chromene-6-carbonyl)-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one
CID 142768959
3,4-dihydro-2H-chromen-6-yl-(4-hydroxypiperidin-1-yl)methanone
CID 82485167
3,4-dihydro-2H-chromen-6-yl(piperidin-1-yl)methanone
CID 110693318
2,3-dihydro-1-benzofuran-5-yl-(2,6-dimethylmorpholin-4-yl)methanone
CID 46585627
1,3-benzothiazol-6-yl-[(3R,4R)-3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl]methanone
CID 70762472
1-(3,4-dihydro-2H-chromene-6-carbonyl)piperidine-4-carboxamide
CID 110693355
(5R)-9-(3,4-dihydro-2H-chromene-6-carbonyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 125174105
[(1R,6S,8R)-3-(3,4-dihydro-2H-chromene-6-carbonyl)-3-azabicyclo[4.2.0]octan-8-yl]-(4-methylpiperidin-1-yl)methanone
CID 169422353
N-cyclopentyl-4-(3,4-dihydro-2H-chromene-6-carbonyl)piperazine-1-carboxamide
CID 110812686
3,4-dihydro-2H-chromen-6-yl-[6-(hydroxymethyl)-1,4-oxazepan-4-yl]methanone
CID 70753831
2,3-dihydro-1-benzofuran-5-yl(pyrrolidin-1-yl)methanone
CID 60739558
3,4-dihydro-2H-chromen-6-yl-[4-(2-methylbenzoyl)piperazin-1-yl]methanone
CID 110802138

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl]-(3,4-dihydro-2H-chromen-6-yl)methanone?
The IUPAC name of [(3R,4R)-3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl]-(3,4-dihydro-2H-chromen-6-yl)methanone (CID 72849140) is [(3R,4R)-3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl]-(3,4-dihydro-2H-chromen-6-yl)methanone.
What is the SMILES notation for [(3R,4R)-3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl]-(3,4-dihydro-2H-chromen-6-yl)methanone?
The canonical SMILES for [(3R,4R)-3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl]-(3,4-dihydro-2H-chromen-6-yl)methanone is C[C@@H]1CN(C(=O)c2ccc3c(c2)CCCO3)C[C@@]1(O)C1CCC1.
What is the InChIKey of [(3R,4R)-3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl]-(3,4-dihydro-2H-chromen-6-yl)methanone?
The InChIKey is UYMOCWSHJGGHFH-YJYMSZOUSA-N. The full InChI is InChI=1S/C19H25NO3/c1-13-11-20(12-19(13,22)16-5-2-6-16)18(21)15-7-8-17-14(10-15)4-3-9-23-17/h7-8,10,13,16,22H,2-6,9,11-12H2,1H3/t13-,19+/m1/s1.
What are the key properties of [(3R,4R)-3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl]-(3,4-dihydro-2H-chromen-6-yl)methanone?
[(3R,4R)-3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl]-(3,4-dihydro-2H-chromen-6-yl)methanone has a molecular weight of 315.41 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl]-(3,4-dihydro-2H-chromen-6-yl)methanone is sourced from PubChem (CID 72849140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).