2-(1-aminocyclopenta-2,4-dien-1-yl)ethanol

C7H11NO — CID 118262760

IUPAC2-(1-aminocyclopenta-2,4-dien-1-yl)ethanol
SMILESNC1(CCO)C=CC=C1
InChIInChI=1S/C7H11NO/c8-7(5-6-9)3-1-2-4-7/h1-4,9H,5-6,8H2
InChIKeyNFOVYCIEHIIFMP-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.19
Rot. Bonds2

About 2-(1-aminocyclopenta-2,4-dien-1-yl)ethanol

2-(1-aminocyclopenta-2,4-dien-1-yl)ethanol (PubChem CID 118262760) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 2-(1-aminocyclopenta-2,4-dien-1-yl)ethanol.

Molecular Properties

Compound Name2-(1-aminocyclopenta-2,4-dien-1-yl)ethanol
PubChem CID118262760
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name2-(1-aminocyclopenta-2,4-dien-1-yl)ethanol
SMILESNC1(CCO)C=CC=C1
InChIInChI=1S/C7H11NO/c8-7(5-6-9)3-1-2-4-7/h1-4,9H,5-6,8H2
InChIKeyNFOVYCIEHIIFMP-UHFFFAOYSA-N
XLogP0.19
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclopenta-2,4-dien-1-yl)ethanol?
The IUPAC name of 2-(1-aminocyclopenta-2,4-dien-1-yl)ethanol (CID 118262760) is 2-(1-aminocyclopenta-2,4-dien-1-yl)ethanol.
What is the SMILES notation for 2-(1-aminocyclopenta-2,4-dien-1-yl)ethanol?
The canonical SMILES for 2-(1-aminocyclopenta-2,4-dien-1-yl)ethanol is NC1(CCO)C=CC=C1.
What is the InChIKey of 2-(1-aminocyclopenta-2,4-dien-1-yl)ethanol?
The InChIKey is NFOVYCIEHIIFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c8-7(5-6-9)3-1-2-4-7/h1-4,9H,5-6,8H2.
What are the key properties of 2-(1-aminocyclopenta-2,4-dien-1-yl)ethanol?
2-(1-aminocyclopenta-2,4-dien-1-yl)ethanol has a molecular weight of 125.17 g/mol, XLogP of 0.19, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclopenta-2,4-dien-1-yl)ethanol is sourced from PubChem (CID 118262760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).