2-aminoethanol;2-hydroxycyclohepta-2,4,6-trien-1-one

C9H13NO3 — CID 15692399

IUPAC2-aminoethanol;2-hydroxycyclohepta-2,4,6-trien-1-one
SMILESNCCO.O=c1cccccc1O
InChIInChI=1S/C7H6O2.C2H7NO/c8-6-4-2-1-3-5-7(6)9;3-1-2-4/h1-5H,(H,8,9);4H,1-3H2
InChIKeyYFLFLLBVTNOUSQ-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.31
Rot. Bonds1

About 2-aminoethanol;2-hydroxycyclohepta-2,4,6-trien-1-one

2-aminoethanol;2-hydroxycyclohepta-2,4,6-trien-1-one (PubChem CID 15692399) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-aminoethanol;2-hydroxycyclohepta-2,4,6-trien-1-one.

Molecular Properties

Compound Name2-aminoethanol;2-hydroxycyclohepta-2,4,6-trien-1-one
PubChem CID15692399
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name2-aminoethanol;2-hydroxycyclohepta-2,4,6-trien-1-one
SMILESNCCO.O=c1cccccc1O
InChIInChI=1S/C7H6O2.C2H7NO/c8-6-4-2-1-3-5-7(6)9;3-1-2-4/h1-5H,(H,8,9);4H,1-3H2
InChIKeyYFLFLLBVTNOUSQ-UHFFFAOYSA-N
XLogP-0.31
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-aminoethanol;2-hydroxycyclohepta-2,4,6-trien-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-aminoethanol;2-hydroxycyclohepta-2,4,6-trien-1-one?
The IUPAC name of 2-aminoethanol;2-hydroxycyclohepta-2,4,6-trien-1-one (CID 15692399) is 2-aminoethanol;2-hydroxycyclohepta-2,4,6-trien-1-one.
What is the SMILES notation for 2-aminoethanol;2-hydroxycyclohepta-2,4,6-trien-1-one?
The canonical SMILES for 2-aminoethanol;2-hydroxycyclohepta-2,4,6-trien-1-one is NCCO.O=c1cccccc1O.
What is the InChIKey of 2-aminoethanol;2-hydroxycyclohepta-2,4,6-trien-1-one?
The InChIKey is YFLFLLBVTNOUSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O2.C2H7NO/c8-6-4-2-1-3-5-7(6)9;3-1-2-4/h1-5H,(H,8,9);4H,1-3H2.
What are the key properties of 2-aminoethanol;2-hydroxycyclohepta-2,4,6-trien-1-one?
2-aminoethanol;2-hydroxycyclohepta-2,4,6-trien-1-one has a molecular weight of 183.21 g/mol, XLogP of -0.31, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethanol;2-hydroxycyclohepta-2,4,6-trien-1-one is sourced from PubChem (CID 15692399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).