N-[(2R,5S)-2,5-dimethoxycyclopent-3-en-1-yl]acetamide

C9H15NO3 — CID 10773872

IUPACN-[(2R,5S)-2,5-dimethoxycyclopent-3-en-1-yl]acetamide
SMILESCO[C@H]1C=C[C@@H](OC)C1NC(C)=O
InChIInChI=1S/C9H15NO3/c1-6(11)10-9-7(12-2)4-5-8(9)13-3/h4-5,7-9H,1-3H3,(H,10,11)/t7-,8+,9?
InChIKeyBFLULMCCZRJPKD-JVHMLUBASA-N
MW185.22 g/mol
LogP0.09
Rot. Bonds3

About N-[(2R,5S)-2,5-dimethoxycyclopent-3-en-1-yl]acetamide

N-[(2R,5S)-2,5-dimethoxycyclopent-3-en-1-yl]acetamide (PubChem CID 10773872) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is N-[(2R,5S)-2,5-dimethoxycyclopent-3-en-1-yl]acetamide.

Molecular Properties

Compound NameN-[(2R,5S)-2,5-dimethoxycyclopent-3-en-1-yl]acetamide
PubChem CID10773872
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC NameN-[(2R,5S)-2,5-dimethoxycyclopent-3-en-1-yl]acetamide
SMILESCO[C@H]1C=C[C@@H](OC)C1NC(C)=O
InChIInChI=1S/C9H15NO3/c1-6(11)10-9-7(12-2)4-5-8(9)13-3/h4-5,7-9H,1-3H3,(H,10,11)/t7-,8+,9?
InChIKeyBFLULMCCZRJPKD-JVHMLUBASA-N
XLogP0.09
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(1S,4R,5S)-4-methoxy-5-(propylamino)cyclopent-2-en-1-yl] acetate
CID 10536548
CID 10560584
CID 10560584
[(1S,4S,5S)-5-acetamido-4-hydroxycyclopent-2-en-1-yl] acetate
CID 10631836
[(1S,4R,5S)-5-acetamido-4-hydroxycyclopent-2-en-1-yl] acetate
CID 10726662
N-[(1R,2R)-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide
CID 68388014
N-[(4R,5S)-2-oxo-4-[(E)-prop-1-enyl]-1,3-dioxan-5-yl]acetamide
CID 89005282
N-[(E,2S,3R)-1-hydroxy-3-methoxyhex-4-en-2-yl]acetamide
CID 89125229
N-[(E,2S,3R)-1-hydroxy-3-methoxyoctadec-4-en-2-yl]acetamide
CID 101923499
N-[(E,2S,3R)-1,3-dimethoxyoctadec-4-en-2-yl]acetamide
CID 117660776
N-[(E,2S,3S)-1-hydroxy-3-methoxyoctadec-4-en-2-yl]acetamide
CID 121391958
N-[(E,2S,3R)-2-acetamido-3-methoxyhex-4-enyl]acetamide
CID 145097689
(4S)-4-[(E,1S)-1-methoxybut-2-enyl]-1,3-oxazolidin-2-one
CID 147362282

Frequently Asked Questions

What is the IUPAC name of N-[(2R,5S)-2,5-dimethoxycyclopent-3-en-1-yl]acetamide?
The IUPAC name of N-[(2R,5S)-2,5-dimethoxycyclopent-3-en-1-yl]acetamide (CID 10773872) is N-[(2R,5S)-2,5-dimethoxycyclopent-3-en-1-yl]acetamide.
What is the SMILES notation for N-[(2R,5S)-2,5-dimethoxycyclopent-3-en-1-yl]acetamide?
The canonical SMILES for N-[(2R,5S)-2,5-dimethoxycyclopent-3-en-1-yl]acetamide is CO[C@H]1C=C[C@@H](OC)C1NC(C)=O.
What is the InChIKey of N-[(2R,5S)-2,5-dimethoxycyclopent-3-en-1-yl]acetamide?
The InChIKey is BFLULMCCZRJPKD-JVHMLUBASA-N. The full InChI is InChI=1S/C9H15NO3/c1-6(11)10-9-7(12-2)4-5-8(9)13-3/h4-5,7-9H,1-3H3,(H,10,11)/t7-,8+,9?.
What are the key properties of N-[(2R,5S)-2,5-dimethoxycyclopent-3-en-1-yl]acetamide?
N-[(2R,5S)-2,5-dimethoxycyclopent-3-en-1-yl]acetamide has a molecular weight of 185.22 g/mol, XLogP of 0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,5S)-2,5-dimethoxycyclopent-3-en-1-yl]acetamide is sourced from PubChem (CID 10773872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).