(3-amino-4-methylpyrrolidin-1-yl)-(2-hydroxyphenyl)methanone

C12H16N2O2 — CID 103575825

IUPAC(3-amino-4-methylpyrrolidin-1-yl)-(2-hydroxyphenyl)methanone
SMILESCC1CN(C(=O)c2ccccc2O)CC1N
InChIInChI=1S/C12H16N2O2/c1-8-6-14(7-10(8)13)12(16)9-4-2-3-5-11(9)15/h2-5,8,10,15H,6-7,13H2,1H3
InChIKeyYDOOKTJZECVXDB-UHFFFAOYSA-N
MW220.27 g/mol
LogP0.81
Rot. Bonds1

About (3-amino-4-methylpyrrolidin-1-yl)-(2-hydroxyphenyl)methanone

(3-amino-4-methylpyrrolidin-1-yl)-(2-hydroxyphenyl)methanone (PubChem CID 103575825) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is (3-amino-4-methylpyrrolidin-1-yl)-(2-hydroxyphenyl)methanone.

Molecular Properties

Compound Name(3-amino-4-methylpyrrolidin-1-yl)-(2-hydroxyphenyl)methanone
PubChem CID103575825
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name(3-amino-4-methylpyrrolidin-1-yl)-(2-hydroxyphenyl)methanone
SMILESCC1CN(C(=O)c2ccccc2O)CC1N
InChIInChI=1S/C12H16N2O2/c1-8-6-14(7-10(8)13)12(16)9-4-2-3-5-11(9)15/h2-5,8,10,15H,6-7,13H2,1H3
InChIKeyYDOOKTJZECVXDB-UHFFFAOYSA-N
XLogP0.81
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3-amino-4-methylpyrrolidin-1-yl)-(3-hydroxy-4-pyridinyl)methanone
CID 103576007
(3-amino-4-methylpyrrolidin-1-yl)-(2-ethoxyphenyl)methanone
CID 103576058
(3-amino-4-methylpyrrolidin-1-yl)-(3-bromo-2-chlorophenyl)methanone
CID 103575762
(3-amino-4-methylpyrrolidin-1-yl)-(4-chlorophenyl)methanone
CID 103576119
(2-hydroxyphenyl)-(3-methylpiperidin-1-yl)methanone
CID 43176525
(3-amino-4-methylpyrrolidin-1-yl)-(2,5-dibromothiophen-3-yl)methanone
CID 107963765
phenyl 3-amino-4-methylpyrrolidine-1-carboxylate
CID 103576204
(3-amino-4-methylpiperidin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone
CID 115299398
(4-amino-3-methylpiperidin-1-yl)-(2-methylsulfanylphenyl)methanone;hydrochloride
CID 119592341
(4-amino-3-methylpiperidin-1-yl)-(2-methoxyphenyl)methanone;hydrochloride
CID 119592557
(3,4-dimethylpyrrolidin-1-yl)-(2-hydroxy-4-methylphenyl)methanone
CID 79039969
(3,4-dimethylpyrrolidin-1-yl)-(2-hydroxy-5-methylphenyl)methanone
CID 79039544

Frequently Asked Questions

What is the IUPAC name of (3-amino-4-methylpyrrolidin-1-yl)-(2-hydroxyphenyl)methanone?
The IUPAC name of (3-amino-4-methylpyrrolidin-1-yl)-(2-hydroxyphenyl)methanone (CID 103575825) is (3-amino-4-methylpyrrolidin-1-yl)-(2-hydroxyphenyl)methanone.
What is the SMILES notation for (3-amino-4-methylpyrrolidin-1-yl)-(2-hydroxyphenyl)methanone?
The canonical SMILES for (3-amino-4-methylpyrrolidin-1-yl)-(2-hydroxyphenyl)methanone is CC1CN(C(=O)c2ccccc2O)CC1N.
What is the InChIKey of (3-amino-4-methylpyrrolidin-1-yl)-(2-hydroxyphenyl)methanone?
The InChIKey is YDOOKTJZECVXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-8-6-14(7-10(8)13)12(16)9-4-2-3-5-11(9)15/h2-5,8,10,15H,6-7,13H2,1H3.
What are the key properties of (3-amino-4-methylpyrrolidin-1-yl)-(2-hydroxyphenyl)methanone?
(3-amino-4-methylpyrrolidin-1-yl)-(2-hydroxyphenyl)methanone has a molecular weight of 220.27 g/mol, XLogP of 0.81, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-methylpyrrolidin-1-yl)-(2-hydroxyphenyl)methanone is sourced from PubChem (CID 103575825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).