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

C15H16N2O3 — CID 138533301

IUPAC2-[(3R)-3-aminopyrrolidine-1-carbonyl]-5-methylchromen-4-one
SMILESCc1cccc2oc(C(=O)N3CC[C@@H](N)C3)cc(=O)c12
InChIInChI=1S/C15H16N2O3/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,5-6,8,16H2,1H3/t10-/m1/s1
InChIKeyBVTZHSWBKLMSHL-SNVBAGLBSA-N
MW272.30 g/mol
LogP1.27
Rot. Bonds1

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

2-[(3R)-3-aminopyrrolidine-1-carbonyl]-5-methylchromen-4-one (PubChem CID 138533301) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-[(3R)-3-aminopyrrolidine-1-carbonyl]-5-methylchromen-4-one.

Molecular Properties

Compound Name2-[(3R)-3-aminopyrrolidine-1-carbonyl]-5-methylchromen-4-one
PubChem CID138533301
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name2-[(3R)-3-aminopyrrolidine-1-carbonyl]-5-methylchromen-4-one
SMILESCc1cccc2oc(C(=O)N3CC[C@@H](N)C3)cc(=O)c12
InChIInChI=1S/C15H16N2O3/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,5-6,8,16H2,1H3/t10-/m1/s1
InChIKeyBVTZHSWBKLMSHL-SNVBAGLBSA-N
XLogP1.27
TPSA76.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-aminopyrrolidine-1-carbonyl]-5-methylchromen-4-one?
The IUPAC name of 2-[(3R)-3-aminopyrrolidine-1-carbonyl]-5-methylchromen-4-one (CID 138533301) is 2-[(3R)-3-aminopyrrolidine-1-carbonyl]-5-methylchromen-4-one.
What is the SMILES notation for 2-[(3R)-3-aminopyrrolidine-1-carbonyl]-5-methylchromen-4-one?
The canonical SMILES for 2-[(3R)-3-aminopyrrolidine-1-carbonyl]-5-methylchromen-4-one is Cc1cccc2oc(C(=O)N3CC[C@@H](N)C3)cc(=O)c12.
What is the InChIKey of 2-[(3R)-3-aminopyrrolidine-1-carbonyl]-5-methylchromen-4-one?
The InChIKey is BVTZHSWBKLMSHL-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H16N2O3/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,5-6,8,16H2,1H3/t10-/m1/s1.
What are the key properties of 2-[(3R)-3-aminopyrrolidine-1-carbonyl]-5-methylchromen-4-one?
2-[(3R)-3-aminopyrrolidine-1-carbonyl]-5-methylchromen-4-one has a molecular weight of 272.30 g/mol, XLogP of 1.27, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-aminopyrrolidine-1-carbonyl]-5-methylchromen-4-one is sourced from PubChem (CID 138533301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).