2-(1-aminocyclopentyl)-4-hydroxybenzaldehyde

C12H15NO2 — CID 117293459

IUPAC2-(1-aminocyclopentyl)-4-hydroxybenzaldehyde
SMILESNC1(c2cc(O)ccc2C=O)CCCC1
InChIInChI=1S/C12H15NO2/c13-12(5-1-2-6-12)11-7-10(15)4-3-9(11)8-14/h3-4,7-8,15H,1-2,5-6,13H2
InChIKeyPABRCQLMOKTVRW-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.93
Rot. Bonds2

About 2-(1-aminocyclopentyl)-4-hydroxybenzaldehyde

2-(1-aminocyclopentyl)-4-hydroxybenzaldehyde (PubChem CID 117293459) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-(1-aminocyclopentyl)-4-hydroxybenzaldehyde.

Molecular Properties

Compound Name2-(1-aminocyclopentyl)-4-hydroxybenzaldehyde
PubChem CID117293459
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name2-(1-aminocyclopentyl)-4-hydroxybenzaldehyde
SMILESNC1(c2cc(O)ccc2C=O)CCCC1
InChIInChI=1S/C12H15NO2/c13-12(5-1-2-6-12)11-7-10(15)4-3-9(11)8-14/h3-4,7-8,15H,1-2,5-6,13H2
InChIKeyPABRCQLMOKTVRW-UHFFFAOYSA-N
XLogP1.93
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclopentyl)-4-hydroxybenzaldehyde?
The IUPAC name of 2-(1-aminocyclopentyl)-4-hydroxybenzaldehyde (CID 117293459) is 2-(1-aminocyclopentyl)-4-hydroxybenzaldehyde.
What is the SMILES notation for 2-(1-aminocyclopentyl)-4-hydroxybenzaldehyde?
The canonical SMILES for 2-(1-aminocyclopentyl)-4-hydroxybenzaldehyde is NC1(c2cc(O)ccc2C=O)CCCC1.
What is the InChIKey of 2-(1-aminocyclopentyl)-4-hydroxybenzaldehyde?
The InChIKey is PABRCQLMOKTVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c13-12(5-1-2-6-12)11-7-10(15)4-3-9(11)8-14/h3-4,7-8,15H,1-2,5-6,13H2.
What are the key properties of 2-(1-aminocyclopentyl)-4-hydroxybenzaldehyde?
2-(1-aminocyclopentyl)-4-hydroxybenzaldehyde has a molecular weight of 205.26 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclopentyl)-4-hydroxybenzaldehyde is sourced from PubChem (CID 117293459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).