1-[4-(2,3-dihydroxypropylamino)phenyl]-5-methylpyrrolidin-2-one

C14H20N2O3 — CID 168593452

IUPAC1-[4-(2,3-dihydroxypropylamino)phenyl]-5-methylpyrrolidin-2-one
SMILESCC1CCC(=O)N1c1ccc(NCC(O)CO)cc1
InChIInChI=1S/C14H20N2O3/c1-10-2-7-14(19)16(10)12-5-3-11(4-6-12)15-8-13(18)9-17/h3-6,10,13,15,17-18H,2,7-9H2,1H3
InChIKeyGHHGPZWHOGXCJH-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.97
Rot. Bonds5

About 1-[4-(2,3-dihydroxypropylamino)phenyl]-5-methylpyrrolidin-2-one

1-[4-(2,3-dihydroxypropylamino)phenyl]-5-methylpyrrolidin-2-one (PubChem CID 168593452) has the molecular formula C14H20N2O3 and a molecular weight of 264.33 g/mol. Its IUPAC name is 1-[4-(2,3-dihydroxypropylamino)phenyl]-5-methylpyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-(2,3-dihydroxypropylamino)phenyl]-5-methylpyrrolidin-2-one
PubChem CID168593452
Molecular FormulaC14H20N2O3
Molecular Weight264.33 g/mol
Exact Mass264.15
IUPAC Name1-[4-(2,3-dihydroxypropylamino)phenyl]-5-methylpyrrolidin-2-one
SMILESCC1CCC(=O)N1c1ccc(NCC(O)CO)cc1
InChIInChI=1S/C14H20N2O3/c1-10-2-7-14(19)16(10)12-5-3-11(4-6-12)15-8-13(18)9-17/h3-6,10,13,15,17-18H,2,7-9H2,1H3
InChIKeyGHHGPZWHOGXCJH-UHFFFAOYSA-N
XLogP0.97
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2,3-dihydroxypropylamino)phenyl]piperidin-2-one
CID 168594537
1-(4-tert-butylphenyl)-5-methylpyrrolidin-2-one
CID 70667423
N-[4-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]cyclopentanecarboxamide
CID 131948204
2-[4-(2,3-dihydroxypropylamino)phenyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 168596967
3-[4-(2-methylpiperidin-1-yl)sulfonylanilino]propane-1,2-diol
CID 168595112
1-ethyl-N-[4-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-2-oxopyridine-4-carboxamide
CID 131888969
1-[4-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]ethylsulfamic acid
CID 138522085
2,6-dimethyl-N-[4-[(2S)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]pyridine-4-carboxamide
CID 164641938
N-[4-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide
CID 131892415
1-[4-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-3-[2-(pyridin-3-ylamino)ethyl]urea
CID 118767577
1-[4-[(2R)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]-3-[2-(pyridin-3-ylamino)ethyl]urea
CID 125154948
3-[4-[4-(1,3-dioxolan-2-yl)phenyl]anilino]propane-1,2-diol
CID 168597177

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,3-dihydroxypropylamino)phenyl]-5-methylpyrrolidin-2-one?
The IUPAC name of 1-[4-(2,3-dihydroxypropylamino)phenyl]-5-methylpyrrolidin-2-one (CID 168593452) is 1-[4-(2,3-dihydroxypropylamino)phenyl]-5-methylpyrrolidin-2-one.
What is the SMILES notation for 1-[4-(2,3-dihydroxypropylamino)phenyl]-5-methylpyrrolidin-2-one?
The canonical SMILES for 1-[4-(2,3-dihydroxypropylamino)phenyl]-5-methylpyrrolidin-2-one is CC1CCC(=O)N1c1ccc(NCC(O)CO)cc1.
What is the InChIKey of 1-[4-(2,3-dihydroxypropylamino)phenyl]-5-methylpyrrolidin-2-one?
The InChIKey is GHHGPZWHOGXCJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10-2-7-14(19)16(10)12-5-3-11(4-6-12)15-8-13(18)9-17/h3-6,10,13,15,17-18H,2,7-9H2,1H3.
What are the key properties of 1-[4-(2,3-dihydroxypropylamino)phenyl]-5-methylpyrrolidin-2-one?
1-[4-(2,3-dihydroxypropylamino)phenyl]-5-methylpyrrolidin-2-one has a molecular weight of 264.33 g/mol, XLogP of 0.97, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,3-dihydroxypropylamino)phenyl]-5-methylpyrrolidin-2-one is sourced from PubChem (CID 168593452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).