N-[(3,4-dihydroxy-1-methyl-5-propylpyrrolidin-2-yl)methyl]acetamide

C11H22N2O3 — CID 90748977

IUPACN-[(3,4-dihydroxy-1-methyl-5-propylpyrrolidin-2-yl)methyl]acetamide
SMILESCCCC1C(O)C(O)C(CNC(C)=O)N1C
InChIInChI=1S/C11H22N2O3/c1-4-5-8-10(15)11(16)9(13(8)3)6-12-7(2)14/h8-11,15-16H,4-6H2,1-3H3,(H,12,14)
InChIKeyFWEJIFPDOJMISO-UHFFFAOYSA-N
MW230.31 g/mol
LogP-0.67
Rot. Bonds4

About N-[(3,4-dihydroxy-1-methyl-5-propylpyrrolidin-2-yl)methyl]acetamide

N-[(3,4-dihydroxy-1-methyl-5-propylpyrrolidin-2-yl)methyl]acetamide (PubChem CID 90748977) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is N-[(3,4-dihydroxy-1-methyl-5-propylpyrrolidin-2-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(3,4-dihydroxy-1-methyl-5-propylpyrrolidin-2-yl)methyl]acetamide
PubChem CID90748977
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC NameN-[(3,4-dihydroxy-1-methyl-5-propylpyrrolidin-2-yl)methyl]acetamide
SMILESCCCC1C(O)C(O)C(CNC(C)=O)N1C
InChIInChI=1S/C11H22N2O3/c1-4-5-8-10(15)11(16)9(13(8)3)6-12-7(2)14/h8-11,15-16H,4-6H2,1-3H3,(H,12,14)
InChIKeyFWEJIFPDOJMISO-UHFFFAOYSA-N
XLogP-0.67
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 5-0.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dihydroxy-1-methyl-5-propylpyrrolidin-2-yl)methyl]acetamide?
The IUPAC name of N-[(3,4-dihydroxy-1-methyl-5-propylpyrrolidin-2-yl)methyl]acetamide (CID 90748977) is N-[(3,4-dihydroxy-1-methyl-5-propylpyrrolidin-2-yl)methyl]acetamide.
What is the SMILES notation for N-[(3,4-dihydroxy-1-methyl-5-propylpyrrolidin-2-yl)methyl]acetamide?
The canonical SMILES for N-[(3,4-dihydroxy-1-methyl-5-propylpyrrolidin-2-yl)methyl]acetamide is CCCC1C(O)C(O)C(CNC(C)=O)N1C.
What is the InChIKey of N-[(3,4-dihydroxy-1-methyl-5-propylpyrrolidin-2-yl)methyl]acetamide?
The InChIKey is FWEJIFPDOJMISO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-4-5-8-10(15)11(16)9(13(8)3)6-12-7(2)14/h8-11,15-16H,4-6H2,1-3H3,(H,12,14).
What are the key properties of N-[(3,4-dihydroxy-1-methyl-5-propylpyrrolidin-2-yl)methyl]acetamide?
N-[(3,4-dihydroxy-1-methyl-5-propylpyrrolidin-2-yl)methyl]acetamide has a molecular weight of 230.31 g/mol, XLogP of -0.67, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dihydroxy-1-methyl-5-propylpyrrolidin-2-yl)methyl]acetamide is sourced from PubChem (CID 90748977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).