[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-(3-hydroxyphenyl)methanone

C14H20N2O3 — CID 66054865

IUPAC[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-(3-hydroxyphenyl)methanone
SMILESCN(C)CC1CC(O)CN1C(=O)c1cccc(O)c1
InChIInChI=1S/C14H20N2O3/c1-15(2)8-11-7-13(18)9-16(11)14(19)10-4-3-5-12(17)6-10/h3-6,11,13,17-18H,7-9H2,1-2H3
InChIKeyZRSQCPBHWCBACR-UHFFFAOYSA-N
MW264.32 g/mol
LogP0.53
Rot. Bonds3

About [2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-(3-hydroxyphenyl)methanone

[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-(3-hydroxyphenyl)methanone (PubChem CID 66054865) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is [2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-(3-hydroxyphenyl)methanone.

Molecular Properties

Compound Name[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-(3-hydroxyphenyl)methanone
PubChem CID66054865
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-(3-hydroxyphenyl)methanone
SMILESCN(C)CC1CC(O)CN1C(=O)c1cccc(O)c1
InChIInChI=1S/C14H20N2O3/c1-15(2)8-11-7-13(18)9-16(11)14(19)10-4-3-5-12(17)6-10/h3-6,11,13,17-18H,7-9H2,1-2H3
InChIKeyZRSQCPBHWCBACR-UHFFFAOYSA-N
XLogP0.53
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-(3-hydroxyphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-(3-sulfanylphenyl)methanone
CID 107031700
[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone
CID 66057048
1,3-benzodioxol-5-yl-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone
CID 66052960
(2-chloro-4-pyridinyl)-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone
CID 66056211
(4-bromo-3-chlorophenyl)-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone
CID 81295352
[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-(5-methylfuran-3-yl)methanone
CID 114821788
[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-(4-fluoro-3-methoxyphenyl)methanone
CID 81288888
[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 66053338
[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-(2-hydroxy-4-methylphenyl)methanone
CID 66054860
[4-[(dimethylamino)methyl]piperidin-1-yl]-(3-hydroxyphenyl)methanone
CID 54986051
[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 66052386
(2-amino-6-methoxyphenyl)-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone
CID 81395422

Frequently Asked Questions

What is the IUPAC name of [2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-(3-hydroxyphenyl)methanone?
The IUPAC name of [2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-(3-hydroxyphenyl)methanone (CID 66054865) is [2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-(3-hydroxyphenyl)methanone.
What is the SMILES notation for [2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-(3-hydroxyphenyl)methanone?
The canonical SMILES for [2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-(3-hydroxyphenyl)methanone is CN(C)CC1CC(O)CN1C(=O)c1cccc(O)c1.
What is the InChIKey of [2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-(3-hydroxyphenyl)methanone?
The InChIKey is ZRSQCPBHWCBACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-15(2)8-11-7-13(18)9-16(11)14(19)10-4-3-5-12(17)6-10/h3-6,11,13,17-18H,7-9H2,1-2H3.
What are the key properties of [2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-(3-hydroxyphenyl)methanone?
[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-(3-hydroxyphenyl)methanone has a molecular weight of 264.32 g/mol, XLogP of 0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-(3-hydroxyphenyl)methanone is sourced from PubChem (CID 66054865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).