N-[(4-hydroxyoxan-4-yl)methyl]-2-pyrrolidin-3-ylacetamide

C12H22N2O3 — CID 81130731

IUPACN-[(4-hydroxyoxan-4-yl)methyl]-2-pyrrolidin-3-ylacetamide
SMILESO=C(CC1CCNC1)NCC1(O)CCOCC1
InChIInChI=1S/C12H22N2O3/c15-11(7-10-1-4-13-8-10)14-9-12(16)2-5-17-6-3-12/h10,13,16H,1-9H2,(H,14,15)
InChIKeyRWVQMXCUCFDDGH-UHFFFAOYSA-N
MW242.32 g/mol
LogP-0.36
Rot. Bonds4

About N-[(4-hydroxyoxan-4-yl)methyl]-2-pyrrolidin-3-ylacetamide

N-[(4-hydroxyoxan-4-yl)methyl]-2-pyrrolidin-3-ylacetamide (PubChem CID 81130731) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is N-[(4-hydroxyoxan-4-yl)methyl]-2-pyrrolidin-3-ylacetamide.

Molecular Properties

Compound NameN-[(4-hydroxyoxan-4-yl)methyl]-2-pyrrolidin-3-ylacetamide
PubChem CID81130731
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC NameN-[(4-hydroxyoxan-4-yl)methyl]-2-pyrrolidin-3-ylacetamide
SMILESO=C(CC1CCNC1)NCC1(O)CCOCC1
InChIInChI=1S/C12H22N2O3/c15-11(7-10-1-4-13-8-10)14-9-12(16)2-5-17-6-3-12/h10,13,16H,1-9H2,(H,14,15)
InChIKeyRWVQMXCUCFDDGH-UHFFFAOYSA-N
XLogP-0.36
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-cycloheptyl-N-[(4-hydroxyoxan-4-yl)methyl]acetamide
CID 111825728
N-[(4-methyloxan-4-yl)methyl]-3-pyrrolidin-3-ylpropanamide
CID 103859951
1-[[(2-pyrrolidin-3-ylacetyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115450787
2-(oxan-4-yl)-N-(pyrrolidin-3-ylmethyl)acetamide
CID 115271886
2-cyclobutyl-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide
CID 103849320
N-[(4-hydroxyoxan-4-yl)methyl]-2-morpholin-3-ylacetamide
CID 81130635
2-cyclohexyl-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide
CID 103849536
N-morpholin-4-yl-2-pyrrolidin-3-ylacetamide
CID 83016127
2-cyclopentyl-N-[(3-hydroxypyrrolidin-3-yl)methyl]acetamide
CID 114760691
2-cyclobutyl-N-[(3-hydroxypyrrolidin-3-yl)methyl]acetamide
CID 103162273
2-(1-aminocyclobutyl)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide
CID 81130546
2-(2,5-dimethylpyrrolidin-1-yl)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide
CID 136511579

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyoxan-4-yl)methyl]-2-pyrrolidin-3-ylacetamide?
The IUPAC name of N-[(4-hydroxyoxan-4-yl)methyl]-2-pyrrolidin-3-ylacetamide (CID 81130731) is N-[(4-hydroxyoxan-4-yl)methyl]-2-pyrrolidin-3-ylacetamide.
What is the SMILES notation for N-[(4-hydroxyoxan-4-yl)methyl]-2-pyrrolidin-3-ylacetamide?
The canonical SMILES for N-[(4-hydroxyoxan-4-yl)methyl]-2-pyrrolidin-3-ylacetamide is O=C(CC1CCNC1)NCC1(O)CCOCC1.
What is the InChIKey of N-[(4-hydroxyoxan-4-yl)methyl]-2-pyrrolidin-3-ylacetamide?
The InChIKey is RWVQMXCUCFDDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c15-11(7-10-1-4-13-8-10)14-9-12(16)2-5-17-6-3-12/h10,13,16H,1-9H2,(H,14,15).
What are the key properties of N-[(4-hydroxyoxan-4-yl)methyl]-2-pyrrolidin-3-ylacetamide?
N-[(4-hydroxyoxan-4-yl)methyl]-2-pyrrolidin-3-ylacetamide has a molecular weight of 242.32 g/mol, XLogP of -0.36, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxyoxan-4-yl)methyl]-2-pyrrolidin-3-ylacetamide is sourced from PubChem (CID 81130731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).