2-cyclopent-2-en-1-yl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide

C12H21NO3 — CID 103604609

IUPAC2-cyclopent-2-en-1-yl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide
SMILESCCC(CO)(CO)NC(=O)CC1C=CCC1
InChIInChI=1S/C12H21NO3/c1-2-12(8-14,9-15)13-11(16)7-10-5-3-4-6-10/h3,5,10,14-15H,2,4,6-9H2,1H3,(H,13,16)
InChIKeyXJGFUUPWIPEXKO-UHFFFAOYSA-N
MW227.30 g/mol
LogP0.59
Rot. Bonds6

About 2-cyclopent-2-en-1-yl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide

2-cyclopent-2-en-1-yl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide (PubChem CID 103604609) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 2-cyclopent-2-en-1-yl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide.

Molecular Properties

Compound Name2-cyclopent-2-en-1-yl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide
PubChem CID103604609
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name2-cyclopent-2-en-1-yl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide
SMILESCCC(CO)(CO)NC(=O)CC1C=CCC1
InChIInChI=1S/C12H21NO3/c1-2-12(8-14,9-15)13-11(16)7-10-5-3-4-6-10/h3,5,10,14-15H,2,4,6-9H2,1H3,(H,13,16)
InChIKeyXJGFUUPWIPEXKO-UHFFFAOYSA-N
XLogP0.59
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(1,1-dimethyl-2-hydroxy-ethyl) arachidonoyl amine
CID 5283404
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]octadec-9-enamide
CID 54328016
(Z)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]octadec-9-enamide
CID 88642075
N-(1-hydroxy-2,3-dimethylbutan-2-yl)octadeca-9,12-dienamide
CID 123155537
N-(1-hydroxy-2-methylpropan-2-yl)-7-[2-[(E)-oct-1-enyl]cyclopentyl]heptanamide
CID 144294132
(Z)-N-(1-hydroxy-2-methylbutan-2-yl)octadec-9-enamide
CID 161578400
N-(1-hydroxy-2-methylpentan-2-yl)hexadec-9-enamide
CID 173265021
N-(1-hydroxy-2-methylpentan-2-yl)icos-13-enamide
CID 173265346
(E)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]octadec-9-enamide
CID 21298060
N-(1-hydroxy-2-methylpropan-2-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 43390483
2-cyclopent-2-en-1-yl-N-(1-hydroxybutan-2-yl)acetamide
CID 43393200
2-cyclopent-2-en-1-yl-N-(1-hydroxy-2-methylpropan-2-yl)acetamide
CID 43393241

Frequently Asked Questions

What is the IUPAC name of 2-cyclopent-2-en-1-yl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide?
The IUPAC name of 2-cyclopent-2-en-1-yl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide (CID 103604609) is 2-cyclopent-2-en-1-yl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide.
What is the SMILES notation for 2-cyclopent-2-en-1-yl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide?
The canonical SMILES for 2-cyclopent-2-en-1-yl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide is CCC(CO)(CO)NC(=O)CC1C=CCC1.
What is the InChIKey of 2-cyclopent-2-en-1-yl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide?
The InChIKey is XJGFUUPWIPEXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-2-12(8-14,9-15)13-11(16)7-10-5-3-4-6-10/h3,5,10,14-15H,2,4,6-9H2,1H3,(H,13,16).
What are the key properties of 2-cyclopent-2-en-1-yl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide?
2-cyclopent-2-en-1-yl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide has a molecular weight of 227.30 g/mol, XLogP of 0.59, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopent-2-en-1-yl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide is sourced from PubChem (CID 103604609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).