N-ethyl-2-[(1R,4S,5S)-4-hydroxy-5-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide

C10H17NO3 — CID 171365711

IUPACN-ethyl-2-[(1R,4S,5S)-4-hydroxy-5-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide
SMILESCCNC(=O)C[C@@H]1C=C[C@H](O)[C@@H]1CO
InChIInChI=1S/C10H17NO3/c1-2-11-10(14)5-7-3-4-9(13)8(7)6-12/h3-4,7-9,12-13H,2,5-6H2,1H3,(H,11,14)/t7-,8+,9-/m0/s1
InChIKeyCZYPEGCBYOFFPR-YIZRAAEISA-N
MW199.25 g/mol
LogP-0.33
Rot. Bonds4

About N-ethyl-2-[(1R,4S,5S)-4-hydroxy-5-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide

N-ethyl-2-[(1R,4S,5S)-4-hydroxy-5-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide (PubChem CID 171365711) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is N-ethyl-2-[(1R,4S,5S)-4-hydroxy-5-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[(1R,4S,5S)-4-hydroxy-5-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide
PubChem CID171365711
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC NameN-ethyl-2-[(1R,4S,5S)-4-hydroxy-5-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide
SMILESCCNC(=O)C[C@@H]1C=C[C@H](O)[C@@H]1CO
InChIInChI=1S/C10H17NO3/c1-2-11-10(14)5-7-3-4-9(13)8(7)6-12/h3-4,7-9,12-13H,2,5-6H2,1H3,(H,11,14)/t7-,8+,9-/m0/s1
InChIKeyCZYPEGCBYOFFPR-YIZRAAEISA-N
XLogP-0.33
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 5-0.33
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

2-(5-hydroxycyclohex-3-en-1-yl)-N-methylacetamide
CID 15686614
2-[(1s,4r,5r)-5-{[(t-butyldimethylsilyl)oxy]methyl}-4-hydroxycyclopent-2-en-1-yl]-N-ethylacetamide
CID 171365798
7-[(1R,2R,5R)-2-hydroxy-5-(8-hydroxyoct-1-enyl)cyclopent-3-en-1-yl]-N-propan-2-ylhept-5-enamide
CID 67703832
7-[(1S,2R,5R)-2-hydroxy-5-(8-hydroxyoct-1-enyl)cyclopent-3-en-1-yl]-N-propan-2-ylhept-5-enamide
CID 70115485
N-[2-(5-hydroxycyclohexa-1,3-dien-1-yl)ethyl]cyclopentanecarboxamide
CID 135213226
(Z)-N-heptyl-4-(1-hydroxyethyl)hex-4-enamide
CID 138604549
(1S,4E)-N-(2-aminoethyl)-6-hydroxycyclooct-4-ene-1-carboxamide
CID 146231543
5-Hydroxy-1,3,3a,4,5,7a-hexahydroindol-2-one
CID 164020555
4-hydroxy-N-[6-(6-methylcyclohexa-1,3-dien-1-yl)hexyl]cyclohex-2-ene-1-carboxamide
CID 169232106
2-cyclopent-2-en-1-yl-N-(3-hydroxybutyl)acetamide
CID 64450110
2-cyclopent-2-en-1-yl-N-(2-hydroxy-4-methylpentyl)acetamide
CID 71917267
N-(cyclohex-3-en-1-ylmethyl)-5-hydroxypentanamide
CID 79208936

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(1R,4S,5S)-4-hydroxy-5-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide?
The IUPAC name of N-ethyl-2-[(1R,4S,5S)-4-hydroxy-5-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide (CID 171365711) is N-ethyl-2-[(1R,4S,5S)-4-hydroxy-5-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide.
What is the SMILES notation for N-ethyl-2-[(1R,4S,5S)-4-hydroxy-5-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide?
The canonical SMILES for N-ethyl-2-[(1R,4S,5S)-4-hydroxy-5-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide is CCNC(=O)C[C@@H]1C=C[C@H](O)[C@@H]1CO.
What is the InChIKey of N-ethyl-2-[(1R,4S,5S)-4-hydroxy-5-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide?
The InChIKey is CZYPEGCBYOFFPR-YIZRAAEISA-N. The full InChI is InChI=1S/C10H17NO3/c1-2-11-10(14)5-7-3-4-9(13)8(7)6-12/h3-4,7-9,12-13H,2,5-6H2,1H3,(H,11,14)/t7-,8+,9-/m0/s1.
What are the key properties of N-ethyl-2-[(1R,4S,5S)-4-hydroxy-5-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide?
N-ethyl-2-[(1R,4S,5S)-4-hydroxy-5-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide has a molecular weight of 199.25 g/mol, XLogP of -0.33, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(1R,4S,5S)-4-hydroxy-5-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide is sourced from PubChem (CID 171365711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).