3-hydroxy-N,2-dimethyl-N-pyrrolidin-3-ylbenzamide

C13H18N2O2 — CID 82829855

IUPAC3-hydroxy-N,2-dimethyl-N-pyrrolidin-3-ylbenzamide
SMILESCc1c(O)cccc1C(=O)N(C)C1CCNC1
InChIInChI=1S/C13H18N2O2/c1-9-11(4-3-5-12(9)16)13(17)15(2)10-6-7-14-8-10/h3-5,10,14,16H,6-8H2,1-2H3
InChIKeyGVEKHKUMVNIAGQ-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.13
Rot. Bonds2

About 3-hydroxy-N,2-dimethyl-N-pyrrolidin-3-ylbenzamide

3-hydroxy-N,2-dimethyl-N-pyrrolidin-3-ylbenzamide (PubChem CID 82829855) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 3-hydroxy-N,2-dimethyl-N-pyrrolidin-3-ylbenzamide.

Molecular Properties

Compound Name3-hydroxy-N,2-dimethyl-N-pyrrolidin-3-ylbenzamide
PubChem CID82829855
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name3-hydroxy-N,2-dimethyl-N-pyrrolidin-3-ylbenzamide
SMILESCc1c(O)cccc1C(=O)N(C)C1CCNC1
InChIInChI=1S/C13H18N2O2/c1-9-11(4-3-5-12(9)16)13(17)15(2)10-6-7-14-8-10/h3-5,10,14,16H,6-8H2,1-2H3
InChIKeyGVEKHKUMVNIAGQ-UHFFFAOYSA-N
XLogP1.13
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N,3-dimethyl-N-pyrrolidin-3-ylbenzamide
CID 107983110
N,2,3-trimethyl-N-piperidin-3-ylbenzamide
CID 54923746
N,2-dimethyl-3-(2-oxoimidazolidin-1-yl)-N-pyrrolidin-3-ylbenzamide
CID 126795134
2-hydroxy-3-methoxy-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 55026964
2,3-difluoro-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119554382
2-hydroxy-5-iodo-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 107732093
N-methyl-2-(4-methylbenzoyl)-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 124613629
N,4-dimethyl-N-pyrrolidin-3-yl-1H-pyrrole-3-carboxamide
CID 119550200
N,2-dimethyl-N-pyrrolidin-3-yl-1H-pyrrole-3-carboxamide;hydrochloride
CID 119554205
N-(azepan-4-yl)-2,3-dihydroxy-N-methylbenzamide
CID 107172531
N-(azepan-4-yl)-3-bromo-N,2-dimethylbenzamide
CID 104974738
N-[2-methyl-6-[methyl(pyrrolidin-3-yl)carbamoyl]phenyl]pyridine-4-carboxamide
CID 119551533

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N,2-dimethyl-N-pyrrolidin-3-ylbenzamide?
The IUPAC name of 3-hydroxy-N,2-dimethyl-N-pyrrolidin-3-ylbenzamide (CID 82829855) is 3-hydroxy-N,2-dimethyl-N-pyrrolidin-3-ylbenzamide.
What is the SMILES notation for 3-hydroxy-N,2-dimethyl-N-pyrrolidin-3-ylbenzamide?
The canonical SMILES for 3-hydroxy-N,2-dimethyl-N-pyrrolidin-3-ylbenzamide is Cc1c(O)cccc1C(=O)N(C)C1CCNC1.
What is the InChIKey of 3-hydroxy-N,2-dimethyl-N-pyrrolidin-3-ylbenzamide?
The InChIKey is GVEKHKUMVNIAGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9-11(4-3-5-12(9)16)13(17)15(2)10-6-7-14-8-10/h3-5,10,14,16H,6-8H2,1-2H3.
What are the key properties of 3-hydroxy-N,2-dimethyl-N-pyrrolidin-3-ylbenzamide?
3-hydroxy-N,2-dimethyl-N-pyrrolidin-3-ylbenzamide has a molecular weight of 234.30 g/mol, XLogP of 1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N,2-dimethyl-N-pyrrolidin-3-ylbenzamide is sourced from PubChem (CID 82829855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).