6-(dimethylaminomethylidene)-2-methoxycyclohexa-1,3-dien-1-ol

C10H15NO2 — CID 87696699

IUPAC6-(dimethylaminomethylidene)-2-methoxycyclohexa-1,3-dien-1-ol
SMILESCOC1=C(O)C(=CN(C)C)CC=C1
InChIInChI=1S/C10H15NO2/c1-11(2)7-8-5-4-6-9(13-3)10(8)12/h4,6-7,12H,5H2,1-3H3
InChIKeyLLWKFDBUYUSSJU-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.81
Rot. Bonds2

About 6-(dimethylaminomethylidene)-2-methoxycyclohexa-1,3-dien-1-ol

6-(dimethylaminomethylidene)-2-methoxycyclohexa-1,3-dien-1-ol (PubChem CID 87696699) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 6-(dimethylaminomethylidene)-2-methoxycyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name6-(dimethylaminomethylidene)-2-methoxycyclohexa-1,3-dien-1-ol
PubChem CID87696699
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name6-(dimethylaminomethylidene)-2-methoxycyclohexa-1,3-dien-1-ol
SMILESCOC1=C(O)C(=CN(C)C)CC=C1
InChIInChI=1S/C10H15NO2/c1-11(2)7-8-5-4-6-9(13-3)10(8)12/h4,6-7,12H,5H2,1-3H3
InChIKeyLLWKFDBUYUSSJU-UHFFFAOYSA-N
XLogP1.81
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(dimethylaminomethylidene)-2-methoxycyclohexa-1,3-dien-1-ol?
The IUPAC name of 6-(dimethylaminomethylidene)-2-methoxycyclohexa-1,3-dien-1-ol (CID 87696699) is 6-(dimethylaminomethylidene)-2-methoxycyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 6-(dimethylaminomethylidene)-2-methoxycyclohexa-1,3-dien-1-ol?
The canonical SMILES for 6-(dimethylaminomethylidene)-2-methoxycyclohexa-1,3-dien-1-ol is COC1=C(O)C(=CN(C)C)CC=C1.
What is the InChIKey of 6-(dimethylaminomethylidene)-2-methoxycyclohexa-1,3-dien-1-ol?
The InChIKey is LLWKFDBUYUSSJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-11(2)7-8-5-4-6-9(13-3)10(8)12/h4,6-7,12H,5H2,1-3H3.
What are the key properties of 6-(dimethylaminomethylidene)-2-methoxycyclohexa-1,3-dien-1-ol?
6-(dimethylaminomethylidene)-2-methoxycyclohexa-1,3-dien-1-ol has a molecular weight of 181.23 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylaminomethylidene)-2-methoxycyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 87696699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).