(3-amino-6-methoxycyclohexa-2,4-dien-1-ylidene)methanol

C8H11NO2 — CID 66759386

IUPAC(3-amino-6-methoxycyclohexa-2,4-dien-1-ylidene)methanol
SMILESCOC1C=CC(N)=CC1=CO
InChIInChI=1S/C8H11NO2/c1-11-8-3-2-7(9)4-6(8)5-10/h2-5,8,10H,9H2,1H3
InChIKeyLQDLZQGZDIPEIH-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.86
Rot. Bonds1

About (3-amino-6-methoxycyclohexa-2,4-dien-1-ylidene)methanol

(3-amino-6-methoxycyclohexa-2,4-dien-1-ylidene)methanol (PubChem CID 66759386) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is (3-amino-6-methoxycyclohexa-2,4-dien-1-ylidene)methanol.

Molecular Properties

Compound Name(3-amino-6-methoxycyclohexa-2,4-dien-1-ylidene)methanol
PubChem CID66759386
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name(3-amino-6-methoxycyclohexa-2,4-dien-1-ylidene)methanol
SMILESCOC1C=CC(N)=CC1=CO
InChIInChI=1S/C8H11NO2/c1-11-8-3-2-7(9)4-6(8)5-10/h2-5,8,10H,9H2,1H3
InChIKeyLQDLZQGZDIPEIH-UHFFFAOYSA-N
XLogP0.86
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3-amino-6-methoxycyclohexa-2,4-dien-1-ylidene)methanol?
The IUPAC name of (3-amino-6-methoxycyclohexa-2,4-dien-1-ylidene)methanol (CID 66759386) is (3-amino-6-methoxycyclohexa-2,4-dien-1-ylidene)methanol.
What is the SMILES notation for (3-amino-6-methoxycyclohexa-2,4-dien-1-ylidene)methanol?
The canonical SMILES for (3-amino-6-methoxycyclohexa-2,4-dien-1-ylidene)methanol is COC1C=CC(N)=CC1=CO.
What is the InChIKey of (3-amino-6-methoxycyclohexa-2,4-dien-1-ylidene)methanol?
The InChIKey is LQDLZQGZDIPEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-11-8-3-2-7(9)4-6(8)5-10/h2-5,8,10H,9H2,1H3.
What are the key properties of (3-amino-6-methoxycyclohexa-2,4-dien-1-ylidene)methanol?
(3-amino-6-methoxycyclohexa-2,4-dien-1-ylidene)methanol has a molecular weight of 153.18 g/mol, XLogP of 0.86, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-6-methoxycyclohexa-2,4-dien-1-ylidene)methanol is sourced from PubChem (CID 66759386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).