[(5Z)-5-[(Z)-3-aminoprop-2-enylidene]-6-methylidenecyclohexa-1,3-dien-1-yl]methanol

C11H13NO — CID 89196782

IUPAC[(5Z)-5-[(Z)-3-aminoprop-2-enylidene]-6-methylidenecyclohexa-1,3-dien-1-yl]methanol
SMILESC=c1c(CO)ccc/c1=C/C=C\N
InChIInChI=1S/C11H13NO/c1-9-10(6-3-7-12)4-2-5-11(9)8-13/h2-7,13H,1,8,12H2/b7-3-,10-6-
InChIKeyQLUARYDRDRPVHY-XOGRUQSTSA-N
MW175.23 g/mol
LogP-0.16
Rot. Bonds2

About [(5Z)-5-[(Z)-3-aminoprop-2-enylidene]-6-methylidenecyclohexa-1,3-dien-1-yl]methanol

[(5Z)-5-[(Z)-3-aminoprop-2-enylidene]-6-methylidenecyclohexa-1,3-dien-1-yl]methanol (PubChem CID 89196782) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is [(5Z)-5-[(Z)-3-aminoprop-2-enylidene]-6-methylidenecyclohexa-1,3-dien-1-yl]methanol.

Molecular Properties

Compound Name[(5Z)-5-[(Z)-3-aminoprop-2-enylidene]-6-methylidenecyclohexa-1,3-dien-1-yl]methanol
PubChem CID89196782
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name[(5Z)-5-[(Z)-3-aminoprop-2-enylidene]-6-methylidenecyclohexa-1,3-dien-1-yl]methanol
SMILESC=c1c(CO)ccc/c1=C/C=C\N
InChIInChI=1S/C11H13NO/c1-9-10(6-3-7-12)4-2-5-11(9)8-13/h2-7,13H,1,8,12H2/b7-3-,10-6-
InChIKeyQLUARYDRDRPVHY-XOGRUQSTSA-N
XLogP-0.16
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(5Z)-5-[(Z)-3-aminoprop-2-enylidene]-6-methylidenecyclohexa-1,3-dien-1-yl]methanol?
The IUPAC name of [(5Z)-5-[(Z)-3-aminoprop-2-enylidene]-6-methylidenecyclohexa-1,3-dien-1-yl]methanol (CID 89196782) is [(5Z)-5-[(Z)-3-aminoprop-2-enylidene]-6-methylidenecyclohexa-1,3-dien-1-yl]methanol.
What is the SMILES notation for [(5Z)-5-[(Z)-3-aminoprop-2-enylidene]-6-methylidenecyclohexa-1,3-dien-1-yl]methanol?
The canonical SMILES for [(5Z)-5-[(Z)-3-aminoprop-2-enylidene]-6-methylidenecyclohexa-1,3-dien-1-yl]methanol is C=c1c(CO)ccc/c1=C/C=C\N.
What is the InChIKey of [(5Z)-5-[(Z)-3-aminoprop-2-enylidene]-6-methylidenecyclohexa-1,3-dien-1-yl]methanol?
The InChIKey is QLUARYDRDRPVHY-XOGRUQSTSA-N. The full InChI is InChI=1S/C11H13NO/c1-9-10(6-3-7-12)4-2-5-11(9)8-13/h2-7,13H,1,8,12H2/b7-3-,10-6-.
What are the key properties of [(5Z)-5-[(Z)-3-aminoprop-2-enylidene]-6-methylidenecyclohexa-1,3-dien-1-yl]methanol?
[(5Z)-5-[(Z)-3-aminoprop-2-enylidene]-6-methylidenecyclohexa-1,3-dien-1-yl]methanol has a molecular weight of 175.23 g/mol, XLogP of -0.16, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(5Z)-5-[(Z)-3-aminoprop-2-enylidene]-6-methylidenecyclohexa-1,3-dien-1-yl]methanol is sourced from PubChem (CID 89196782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).