2-[(3R)-3-fluoropyrrolidine-1-carbonyl]-5-methylchromen-4-one

C15H14FNO3 — CID 138533307

IUPAC2-[(3R)-3-fluoropyrrolidine-1-carbonyl]-5-methylchromen-4-one
SMILESCc1cccc2oc(C(=O)N3CC[C@@H](F)C3)cc(=O)c12
InChIInChI=1S/C15H14FNO3/c1-9-3-2-4-12-14(9)11(18)7-13(20-12)15(19)17-6-5-10(16)8-17/h2-4,7,10H,5-6,8H2,1H3/t10-/m1/s1
InChIKeyODQYKZWXVNDXFJ-SNVBAGLBSA-N
MW275.28 g/mol
LogP2.29
Rot. Bonds1

About 2-[(3R)-3-fluoropyrrolidine-1-carbonyl]-5-methylchromen-4-one

2-[(3R)-3-fluoropyrrolidine-1-carbonyl]-5-methylchromen-4-one (PubChem CID 138533307) has the molecular formula C15H14FNO3 and a molecular weight of 275.28 g/mol. Its IUPAC name is 2-[(3R)-3-fluoropyrrolidine-1-carbonyl]-5-methylchromen-4-one.

Molecular Properties

Compound Name2-[(3R)-3-fluoropyrrolidine-1-carbonyl]-5-methylchromen-4-one
PubChem CID138533307
Molecular FormulaC15H14FNO3
Molecular Weight275.28 g/mol
Exact Mass275.10
IUPAC Name2-[(3R)-3-fluoropyrrolidine-1-carbonyl]-5-methylchromen-4-one
SMILESCc1cccc2oc(C(=O)N3CC[C@@H](F)C3)cc(=O)c12
InChIInChI=1S/C15H14FNO3/c1-9-3-2-4-12-14(9)11(18)7-13(20-12)15(19)17-6-5-10(16)8-17/h2-4,7,10H,5-6,8H2,1H3/t10-/m1/s1
InChIKeyODQYKZWXVNDXFJ-SNVBAGLBSA-N
XLogP2.29
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3R)-3-aminopyrrolidine-1-carbonyl]-5-methylchromen-4-one
CID 138533301
2-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]chromen-4-one
CID 115966240
2-[3-(1-aminoethyl)pyrrolidine-1-carbonyl]chromen-4-one
CID 115969507
2-(4-methylpiperidine-1-carbonyl)chromen-4-one
CID 26773752
(3-aminopyrrolidin-1-yl)-(1-benzofuran-2-yl)methanone;hydrochloride
CID 119482537
(4-methyl-1-benzofuran-2-yl)-[4-(methylsulfanylmethyl)piperidin-1-yl]methanone
CID 166256816
2-(3-aminopyrrolidine-1-carbonyl)-5-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]chromen-4-one
CID 138524656
5-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-4-oxochromene-2-carboxamide
CID 138533345
2-[3-(2-methyl-6-oxopyran-4-yl)oxypyrrolidine-1-carbonyl]chromen-4-one
CID 90628576
2-[3-(1,4-dimethylimidazol-2-yl)pyrrolidine-1-carbonyl]chromen-4-one
CID 110104889
2-[(3R)-3-(4-methoxyphenyl)pyrrolidine-1-carbonyl]chromen-4-one
CID 93480787
2-[3-(3,4-dimethylanilino)piperidine-1-carbonyl]chromen-4-one
CID 45240420

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-fluoropyrrolidine-1-carbonyl]-5-methylchromen-4-one?
The IUPAC name of 2-[(3R)-3-fluoropyrrolidine-1-carbonyl]-5-methylchromen-4-one (CID 138533307) is 2-[(3R)-3-fluoropyrrolidine-1-carbonyl]-5-methylchromen-4-one.
What is the SMILES notation for 2-[(3R)-3-fluoropyrrolidine-1-carbonyl]-5-methylchromen-4-one?
The canonical SMILES for 2-[(3R)-3-fluoropyrrolidine-1-carbonyl]-5-methylchromen-4-one is Cc1cccc2oc(C(=O)N3CC[C@@H](F)C3)cc(=O)c12.
What is the InChIKey of 2-[(3R)-3-fluoropyrrolidine-1-carbonyl]-5-methylchromen-4-one?
The InChIKey is ODQYKZWXVNDXFJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H14FNO3/c1-9-3-2-4-12-14(9)11(18)7-13(20-12)15(19)17-6-5-10(16)8-17/h2-4,7,10H,5-6,8H2,1H3/t10-/m1/s1.
What are the key properties of 2-[(3R)-3-fluoropyrrolidine-1-carbonyl]-5-methylchromen-4-one?
2-[(3R)-3-fluoropyrrolidine-1-carbonyl]-5-methylchromen-4-one has a molecular weight of 275.28 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-fluoropyrrolidine-1-carbonyl]-5-methylchromen-4-one is sourced from PubChem (CID 138533307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).