1-[3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-3-oxopropyl]pyridin-2-one

C15H23N3O3 — CID 66053161

IUPAC1-[3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-3-oxopropyl]pyridin-2-one
SMILESCN(C)CC1CC(O)CN1C(=O)CCn1ccccc1=O
InChIInChI=1S/C15H23N3O3/c1-16(2)10-12-9-13(19)11-18(12)15(21)6-8-17-7-4-3-5-14(17)20/h3-5,7,12-13,19H,6,8-11H2,1-2H3
InChIKeyIQZVZJDTTYQLSB-UHFFFAOYSA-N
MW293.37 g/mol
LogP-0.24
Rot. Bonds5

About 1-[3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-3-oxopropyl]pyridin-2-one

1-[3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-3-oxopropyl]pyridin-2-one (PubChem CID 66053161) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-[3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-3-oxopropyl]pyridin-2-one.

Molecular Properties

Compound Name1-[3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-3-oxopropyl]pyridin-2-one
PubChem CID66053161
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name1-[3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-3-oxopropyl]pyridin-2-one
SMILESCN(C)CC1CC(O)CN1C(=O)CCn1ccccc1=O
InChIInChI=1S/C15H23N3O3/c1-16(2)10-12-9-13(19)11-18(12)15(21)6-8-17-7-4-3-5-14(17)20/h3-5,7,12-13,19H,6,8-11H2,1-2H3
InChIKeyIQZVZJDTTYQLSB-UHFFFAOYSA-N
XLogP-0.24
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-3-oxopropyl]pyridin-2-one?
The IUPAC name of 1-[3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-3-oxopropyl]pyridin-2-one (CID 66053161) is 1-[3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-3-oxopropyl]pyridin-2-one.
What is the SMILES notation for 1-[3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-3-oxopropyl]pyridin-2-one?
The canonical SMILES for 1-[3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-3-oxopropyl]pyridin-2-one is CN(C)CC1CC(O)CN1C(=O)CCn1ccccc1=O.
What is the InChIKey of 1-[3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-3-oxopropyl]pyridin-2-one?
The InChIKey is IQZVZJDTTYQLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-16(2)10-12-9-13(19)11-18(12)15(21)6-8-17-7-4-3-5-14(17)20/h3-5,7,12-13,19H,6,8-11H2,1-2H3.
What are the key properties of 1-[3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-3-oxopropyl]pyridin-2-one?
1-[3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-3-oxopropyl]pyridin-2-one has a molecular weight of 293.37 g/mol, XLogP of -0.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-3-oxopropyl]pyridin-2-one is sourced from PubChem (CID 66053161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).