(2-amino-4-hydroxycyclohexa-2,4-dien-1-ylidene)methanone

C7H7NO2 — CID 87094552

IUPAC(2-amino-4-hydroxycyclohexa-2,4-dien-1-ylidene)methanone
SMILESNC1=CC(O)=CCC1=C=O
InChIInChI=1S/C7H7NO2/c8-7-3-6(10)2-1-5(7)4-9/h2-3,10H,1,8H2
InChIKeyYCKPKLLWILSFMZ-UHFFFAOYSA-N
MW137.14 g/mol
LogP0.43
Rot. Bonds

About (2-amino-4-hydroxycyclohexa-2,4-dien-1-ylidene)methanone

(2-amino-4-hydroxycyclohexa-2,4-dien-1-ylidene)methanone (PubChem CID 87094552) has the molecular formula C7H7NO2 and a molecular weight of 137.14 g/mol. Its IUPAC name is (2-amino-4-hydroxycyclohexa-2,4-dien-1-ylidene)methanone.

Molecular Properties

Compound Name(2-amino-4-hydroxycyclohexa-2,4-dien-1-ylidene)methanone
PubChem CID87094552
Molecular FormulaC7H7NO2
Molecular Weight137.14 g/mol
Exact Mass137.05
IUPAC Name(2-amino-4-hydroxycyclohexa-2,4-dien-1-ylidene)methanone
SMILESNC1=CC(O)=CCC1=C=O
InChIInChI=1S/C7H7NO2/c8-7-3-6(10)2-1-5(7)4-9/h2-3,10H,1,8H2
InChIKeyYCKPKLLWILSFMZ-UHFFFAOYSA-N
XLogP0.43
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.14
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2-amino-4-hydroxycyclohexa-2,4-dien-1-ylidene)methanone 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-amino-4-hydroxycyclohexa-2,4-dien-1-ylidene)methanone?
The IUPAC name of (2-amino-4-hydroxycyclohexa-2,4-dien-1-ylidene)methanone (CID 87094552) is (2-amino-4-hydroxycyclohexa-2,4-dien-1-ylidene)methanone.
What is the SMILES notation for (2-amino-4-hydroxycyclohexa-2,4-dien-1-ylidene)methanone?
The canonical SMILES for (2-amino-4-hydroxycyclohexa-2,4-dien-1-ylidene)methanone is NC1=CC(O)=CCC1=C=O.
What is the InChIKey of (2-amino-4-hydroxycyclohexa-2,4-dien-1-ylidene)methanone?
The InChIKey is YCKPKLLWILSFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO2/c8-7-3-6(10)2-1-5(7)4-9/h2-3,10H,1,8H2.
What are the key properties of (2-amino-4-hydroxycyclohexa-2,4-dien-1-ylidene)methanone?
(2-amino-4-hydroxycyclohexa-2,4-dien-1-ylidene)methanone has a molecular weight of 137.14 g/mol, XLogP of 0.43, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-hydroxycyclohexa-2,4-dien-1-ylidene)methanone is sourced from PubChem (CID 87094552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).