6-amino-5-hydroxycyclohexa-2,4-dien-1-one

C6H7NO2 — CID 66968028

IUPAC6-amino-5-hydroxycyclohexa-2,4-dien-1-one
SMILESNC1C(=O)C=CC=C1O
InChIInChI=1S/C6H7NO2/c7-6-4(8)2-1-3-5(6)9/h1-3,6,8H,7H2
InChIKeyPNFVHDSVTMMYFM-UHFFFAOYSA-N
MW125.13 g/mol
LogP-0.11
Rot. Bonds

About 6-amino-5-hydroxycyclohexa-2,4-dien-1-one

6-amino-5-hydroxycyclohexa-2,4-dien-1-one (PubChem CID 66968028) has the molecular formula C6H7NO2 and a molecular weight of 125.13 g/mol. Its IUPAC name is 6-amino-5-hydroxycyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Name6-amino-5-hydroxycyclohexa-2,4-dien-1-one
PubChem CID66968028
Molecular FormulaC6H7NO2
Molecular Weight125.13 g/mol
Exact Mass125.05
IUPAC Name6-amino-5-hydroxycyclohexa-2,4-dien-1-one
SMILESNC1C(=O)C=CC=C1O
InChIInChI=1S/C6H7NO2/c7-6-4(8)2-1-3-5(6)9/h1-3,6,8H,7H2
InChIKeyPNFVHDSVTMMYFM-UHFFFAOYSA-N
XLogP-0.11
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.13
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-hydroxycyclohexa-2,4-dien-1-one?
The IUPAC name of 6-amino-5-hydroxycyclohexa-2,4-dien-1-one (CID 66968028) is 6-amino-5-hydroxycyclohexa-2,4-dien-1-one.
What is the SMILES notation for 6-amino-5-hydroxycyclohexa-2,4-dien-1-one?
The canonical SMILES for 6-amino-5-hydroxycyclohexa-2,4-dien-1-one is NC1C(=O)C=CC=C1O.
What is the InChIKey of 6-amino-5-hydroxycyclohexa-2,4-dien-1-one?
The InChIKey is PNFVHDSVTMMYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2/c7-6-4(8)2-1-3-5(6)9/h1-3,6,8H,7H2.
What are the key properties of 6-amino-5-hydroxycyclohexa-2,4-dien-1-one?
6-amino-5-hydroxycyclohexa-2,4-dien-1-one has a molecular weight of 125.13 g/mol, XLogP of -0.11, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-hydroxycyclohexa-2,4-dien-1-one is sourced from PubChem (CID 66968028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).