1-[3-[(2-amino-6-hydroxyphenyl)methylamino]propyl]pyrrolidin-2-one

C14H21N3O2 — CID 69380578

IUPAC1-[3-[(2-amino-6-hydroxyphenyl)methylamino]propyl]pyrrolidin-2-one
SMILESNc1cccc(O)c1CNCCCN1CCCC1=O
InChIInChI=1S/C14H21N3O2/c15-12-4-1-5-13(18)11(12)10-16-7-3-9-17-8-2-6-14(17)19/h1,4-5,16,18H,2-3,6-10,15H2
InChIKeyUWAYHUFHXJYGSE-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.08
Rot. Bonds6

About 1-[3-[(2-amino-6-hydroxyphenyl)methylamino]propyl]pyrrolidin-2-one

1-[3-[(2-amino-6-hydroxyphenyl)methylamino]propyl]pyrrolidin-2-one (PubChem CID 69380578) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-[3-[(2-amino-6-hydroxyphenyl)methylamino]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[(2-amino-6-hydroxyphenyl)methylamino]propyl]pyrrolidin-2-one
PubChem CID69380578
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name1-[3-[(2-amino-6-hydroxyphenyl)methylamino]propyl]pyrrolidin-2-one
SMILESNc1cccc(O)c1CNCCCN1CCCC1=O
InChIInChI=1S/C14H21N3O2/c15-12-4-1-5-13(18)11(12)10-16-7-3-9-17-8-2-6-14(17)19/h1,4-5,16,18H,2-3,6-10,15H2
InChIKeyUWAYHUFHXJYGSE-UHFFFAOYSA-N
XLogP1.08
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 1-[3-[(2-amino-6-hydroxyphenyl)methylamino]propyl]pyrrolidin-2-one 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

1-[3-(benzylamino)propyl]pyrrolidin-2-one;hydrochloride
CID 17211877
1-[3-(naphthalen-1-ylmethylamino)propyl]pyrrolidin-2-one;hydrochloride
CID 17211895
2-[[3-(2-oxopyrrolidin-1-yl)propylamino]methyl]benzoic acid
CID 17212317
1-[3-(furan-3-ylmethylamino)propyl]pyrrolidin-2-one
CID 115606925
1-[3-[(3-benzyl-7-hydroxy-4-methyl-2-oxochromen-8-yl)methylamino]propyl]pyrrolidin-2-one;hydrochloride
CID 44667308
1-[3-(7-amino-1-hydroxyisoindol-2-yl)propyl]pyrrolidin-2-one
CID 90780199
1-(furan-2-ylmethyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]thiourea
CID 2211945
1-[3-[(2-hydroxy-2-phenylethyl)amino]propyl]pyrrolidin-2-one
CID 4213266
1-[3-[(5-methylthiophen-2-yl)methylamino]propyl]pyrrolidin-2-one
CID 17211975
1-[3-[[4-(diethylamino)phenyl]methylamino]propyl]pyrrolidin-2-one
CID 17212169
1-[3-[(2,4-dichlorophenyl)methylamino]propyl]pyrrolidin-2-one;hydrochloride
CID 17211943
1-[3-[(4-phenylmethoxyphenyl)methylamino]propyl]pyrrolidin-2-one;hydrochloride
CID 17211904

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2-amino-6-hydroxyphenyl)methylamino]propyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[(2-amino-6-hydroxyphenyl)methylamino]propyl]pyrrolidin-2-one (CID 69380578) is 1-[3-[(2-amino-6-hydroxyphenyl)methylamino]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[(2-amino-6-hydroxyphenyl)methylamino]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[(2-amino-6-hydroxyphenyl)methylamino]propyl]pyrrolidin-2-one is Nc1cccc(O)c1CNCCCN1CCCC1=O.
What is the InChIKey of 1-[3-[(2-amino-6-hydroxyphenyl)methylamino]propyl]pyrrolidin-2-one?
The InChIKey is UWAYHUFHXJYGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c15-12-4-1-5-13(18)11(12)10-16-7-3-9-17-8-2-6-14(17)19/h1,4-5,16,18H,2-3,6-10,15H2.
What are the key properties of 1-[3-[(2-amino-6-hydroxyphenyl)methylamino]propyl]pyrrolidin-2-one?
1-[3-[(2-amino-6-hydroxyphenyl)methylamino]propyl]pyrrolidin-2-one has a molecular weight of 263.34 g/mol, XLogP of 1.08, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2-amino-6-hydroxyphenyl)methylamino]propyl]pyrrolidin-2-one is sourced from PubChem (CID 69380578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).