5-hydroxy-2-[[propan-2-yl(pyrrolidin-2-ylmethyl)amino]methyl]pyran-4-one

C14H22N2O3 — CID 106614645

IUPAC5-hydroxy-2-[[propan-2-yl(pyrrolidin-2-ylmethyl)amino]methyl]pyran-4-one
SMILESCC(C)N(Cc1cc(=O)c(O)co1)CC1CCCN1
InChIInChI=1S/C14H22N2O3/c1-10(2)16(7-11-4-3-5-15-11)8-12-6-13(17)14(18)9-19-12/h6,9-11,15,18H,3-5,7-8H2,1-2H3
InChIKeySGBMJNHFNVAOQP-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.31
Rot. Bonds5

About 5-hydroxy-2-[[propan-2-yl(pyrrolidin-2-ylmethyl)amino]methyl]pyran-4-one

5-hydroxy-2-[[propan-2-yl(pyrrolidin-2-ylmethyl)amino]methyl]pyran-4-one (PubChem CID 106614645) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 5-hydroxy-2-[[propan-2-yl(pyrrolidin-2-ylmethyl)amino]methyl]pyran-4-one.

Molecular Properties

Compound Name5-hydroxy-2-[[propan-2-yl(pyrrolidin-2-ylmethyl)amino]methyl]pyran-4-one
PubChem CID106614645
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name5-hydroxy-2-[[propan-2-yl(pyrrolidin-2-ylmethyl)amino]methyl]pyran-4-one
SMILESCC(C)N(Cc1cc(=O)c(O)co1)CC1CCCN1
InChIInChI=1S/C14H22N2O3/c1-10(2)16(7-11-4-3-5-15-11)8-12-6-13(17)14(18)9-19-12/h6,9-11,15,18H,3-5,7-8H2,1-2H3
InChIKeySGBMJNHFNVAOQP-UHFFFAOYSA-N
XLogP1.31
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]methyl]-5-hydroxypyran-4-one
CID 106616373
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106602849
N-ethyl-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 43265935
(2R)-1-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]propan-2-ol
CID 106933690
3-[[piperidin-2-ylmethyl(propan-2-yl)amino]methyl]phenol
CID 106622282
5-methoxy-2-[[piperidin-2-ylmethyl(propan-2-yl)amino]methyl]phenol
CID 106621980
4-bromo-2-hydroxy-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609548
2-[propan-2-yl-[[(2R)-pyrrolidin-2-yl]methyl]amino]acetamide
CID 102819407
N-[(5-nitrofuran-2-yl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106631949
3-fluoro-5-[[piperidin-2-ylmethyl(propan-2-yl)amino]methyl]phenol
CID 106622268
N-[(2-ethylpyrazol-3-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106603092
N-[[3-(methoxymethyl)phenyl]methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106603247

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-[[propan-2-yl(pyrrolidin-2-ylmethyl)amino]methyl]pyran-4-one?
The IUPAC name of 5-hydroxy-2-[[propan-2-yl(pyrrolidin-2-ylmethyl)amino]methyl]pyran-4-one (CID 106614645) is 5-hydroxy-2-[[propan-2-yl(pyrrolidin-2-ylmethyl)amino]methyl]pyran-4-one.
What is the SMILES notation for 5-hydroxy-2-[[propan-2-yl(pyrrolidin-2-ylmethyl)amino]methyl]pyran-4-one?
The canonical SMILES for 5-hydroxy-2-[[propan-2-yl(pyrrolidin-2-ylmethyl)amino]methyl]pyran-4-one is CC(C)N(Cc1cc(=O)c(O)co1)CC1CCCN1.
What is the InChIKey of 5-hydroxy-2-[[propan-2-yl(pyrrolidin-2-ylmethyl)amino]methyl]pyran-4-one?
The InChIKey is SGBMJNHFNVAOQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-10(2)16(7-11-4-3-5-15-11)8-12-6-13(17)14(18)9-19-12/h6,9-11,15,18H,3-5,7-8H2,1-2H3.
What are the key properties of 5-hydroxy-2-[[propan-2-yl(pyrrolidin-2-ylmethyl)amino]methyl]pyran-4-one?
5-hydroxy-2-[[propan-2-yl(pyrrolidin-2-ylmethyl)amino]methyl]pyran-4-one has a molecular weight of 266.34 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-[[propan-2-yl(pyrrolidin-2-ylmethyl)amino]methyl]pyran-4-one is sourced from PubChem (CID 106614645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).