1-[(3R,4R)-4-aminopyrrolidin-3-yl]-4-methylpyridin-2-one

C10H15N3O — CID 66693222

IUPAC1-[(3R,4R)-4-aminopyrrolidin-3-yl]-4-methylpyridin-2-one
SMILESCc1ccn([C@@H]2CNC[C@H]2N)c(=O)c1
InChIInChI=1S/C10H15N3O/c1-7-2-3-13(10(14)4-7)9-6-12-5-8(9)11/h2-4,8-9,12H,5-6,11H2,1H3/t8-,9-/m1/s1
InChIKeyCUNOJCDKBPECJK-RKDXNWHRSA-N
MW193.25 g/mol
LogP-0.37
Rot. Bonds1

About 1-[(3R,4R)-4-aminopyrrolidin-3-yl]-4-methylpyridin-2-one

1-[(3R,4R)-4-aminopyrrolidin-3-yl]-4-methylpyridin-2-one (PubChem CID 66693222) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 1-[(3R,4R)-4-aminopyrrolidin-3-yl]-4-methylpyridin-2-one.

Molecular Properties

Compound Name1-[(3R,4R)-4-aminopyrrolidin-3-yl]-4-methylpyridin-2-one
PubChem CID66693222
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name1-[(3R,4R)-4-aminopyrrolidin-3-yl]-4-methylpyridin-2-one
SMILESCc1ccn([C@@H]2CNC[C@H]2N)c(=O)c1
InChIInChI=1S/C10H15N3O/c1-7-2-3-13(10(14)4-7)9-6-12-5-8(9)11/h2-4,8-9,12H,5-6,11H2,1H3/t8-,9-/m1/s1
InChIKeyCUNOJCDKBPECJK-RKDXNWHRSA-N
XLogP-0.37
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R,4R)-4-aminopyrrolidin-3-yl]-4-methylpyridin-2-one?
The IUPAC name of 1-[(3R,4R)-4-aminopyrrolidin-3-yl]-4-methylpyridin-2-one (CID 66693222) is 1-[(3R,4R)-4-aminopyrrolidin-3-yl]-4-methylpyridin-2-one.
What is the SMILES notation for 1-[(3R,4R)-4-aminopyrrolidin-3-yl]-4-methylpyridin-2-one?
The canonical SMILES for 1-[(3R,4R)-4-aminopyrrolidin-3-yl]-4-methylpyridin-2-one is Cc1ccn([C@@H]2CNC[C@H]2N)c(=O)c1.
What is the InChIKey of 1-[(3R,4R)-4-aminopyrrolidin-3-yl]-4-methylpyridin-2-one?
The InChIKey is CUNOJCDKBPECJK-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H15N3O/c1-7-2-3-13(10(14)4-7)9-6-12-5-8(9)11/h2-4,8-9,12H,5-6,11H2,1H3/t8-,9-/m1/s1.
What are the key properties of 1-[(3R,4R)-4-aminopyrrolidin-3-yl]-4-methylpyridin-2-one?
1-[(3R,4R)-4-aminopyrrolidin-3-yl]-4-methylpyridin-2-one has a molecular weight of 193.25 g/mol, XLogP of -0.37, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,4R)-4-aminopyrrolidin-3-yl]-4-methylpyridin-2-one is sourced from PubChem (CID 66693222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).