2-(4-aminocyclopent-2-en-1-yl)oxyethanol

C7H13NO2 — CID 123506293

IUPAC2-(4-aminocyclopent-2-en-1-yl)oxyethanol
SMILESNC1C=CC(OCCO)C1
InChIInChI=1S/C7H13NO2/c8-6-1-2-7(5-6)10-4-3-9/h1-2,6-7,9H,3-5,8H2
InChIKeyNNORFBXTYPHSMJ-UHFFFAOYSA-N
MW143.19 g/mol
LogP-0.35
Rot. Bonds3

About 2-(4-aminocyclopent-2-en-1-yl)oxyethanol

2-(4-aminocyclopent-2-en-1-yl)oxyethanol (PubChem CID 123506293) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 2-(4-aminocyclopent-2-en-1-yl)oxyethanol.

Molecular Properties

Compound Name2-(4-aminocyclopent-2-en-1-yl)oxyethanol
PubChem CID123506293
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name2-(4-aminocyclopent-2-en-1-yl)oxyethanol
SMILESNC1C=CC(OCCO)C1
InChIInChI=1S/C7H13NO2/c8-6-1-2-7(5-6)10-4-3-9/h1-2,6-7,9H,3-5,8H2
InChIKeyNNORFBXTYPHSMJ-UHFFFAOYSA-N
XLogP-0.35
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S)-4-amino-3,4,5,8-tetrahydro-2H-oxocin-3-ol
CID 54131052
4-amino-3,4,5,8-tetrahydro-2H-oxocin-3-ol
CID 54131053
(S)-2-amino-1-((S)-2,5-dihydrofuran-2-yl)ethanol
CID 55280978
(R)-2-amino-1-((S)-2,5-dihydrofuran-2-yl)ethanol
CID 55281149
(6Z)-4-amino-3,4,5,8-tetrahydro-2H-oxocin-3-ol
CID 55285213
(4S,6Z)-4-amino-3,4,5,8-tetrahydro-2H-oxocin-3-ol
CID 59921663
(1R)-2-amino-1-(2,5-dihydrofuran-2-yl)ethanol
CID 66850319
(1S)-2-amino-1-(2,5-dihydrofuran-2-yl)ethanol
CID 67049909
2-amino-1-[(2S)-2,5-dihydrofuran-2-yl]ethanol
CID 68892988
2-Amino-1-(2,5-dihydrofuran-2-yl)ethanol
CID 69017966
(3S,6Z)-4-amino-3,4,5,8-tetrahydro-2H-oxocin-3-ol
CID 70098305
2-[(1S,4R)-4-aminocyclopent-2-en-1-yl]oxyethanol
CID 89663807

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminocyclopent-2-en-1-yl)oxyethanol?
The IUPAC name of 2-(4-aminocyclopent-2-en-1-yl)oxyethanol (CID 123506293) is 2-(4-aminocyclopent-2-en-1-yl)oxyethanol.
What is the SMILES notation for 2-(4-aminocyclopent-2-en-1-yl)oxyethanol?
The canonical SMILES for 2-(4-aminocyclopent-2-en-1-yl)oxyethanol is NC1C=CC(OCCO)C1.
What is the InChIKey of 2-(4-aminocyclopent-2-en-1-yl)oxyethanol?
The InChIKey is NNORFBXTYPHSMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c8-6-1-2-7(5-6)10-4-3-9/h1-2,6-7,9H,3-5,8H2.
What are the key properties of 2-(4-aminocyclopent-2-en-1-yl)oxyethanol?
2-(4-aminocyclopent-2-en-1-yl)oxyethanol has a molecular weight of 143.19 g/mol, XLogP of -0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminocyclopent-2-en-1-yl)oxyethanol is sourced from PubChem (CID 123506293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).