(5Z)-5-[(Z)-3-aminobut-2-enylidene]-6-methylidenecyclohexa-1,3-dien-1-ol

C11H13NO — CID 89047516

IUPAC(5Z)-5-[(Z)-3-aminobut-2-enylidene]-6-methylidenecyclohexa-1,3-dien-1-ol
SMILESC=c1c(O)ccc/c1=C/C=C(/C)N
InChIInChI=1S/C11H13NO/c1-8(12)6-7-10-4-3-5-11(13)9(10)2/h3-7,13H,2,12H2,1H3/b8-6-,10-7-
InChIKeySRGIBKXCZJCLBC-YOYBIJIWSA-N
MW175.23 g/mol
LogP0.45
Rot. Bonds1

About (5Z)-5-[(Z)-3-aminobut-2-enylidene]-6-methylidenecyclohexa-1,3-dien-1-ol

(5Z)-5-[(Z)-3-aminobut-2-enylidene]-6-methylidenecyclohexa-1,3-dien-1-ol (PubChem CID 89047516) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is (5Z)-5-[(Z)-3-aminobut-2-enylidene]-6-methylidenecyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name(5Z)-5-[(Z)-3-aminobut-2-enylidene]-6-methylidenecyclohexa-1,3-dien-1-ol
PubChem CID89047516
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name(5Z)-5-[(Z)-3-aminobut-2-enylidene]-6-methylidenecyclohexa-1,3-dien-1-ol
SMILESC=c1c(O)ccc/c1=C/C=C(/C)N
InChIInChI=1S/C11H13NO/c1-8(12)6-7-10-4-3-5-11(13)9(10)2/h3-7,13H,2,12H2,1H3/b8-6-,10-7-
InChIKeySRGIBKXCZJCLBC-YOYBIJIWSA-N
XLogP0.45
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 50.45
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-aminobut-2-enylidene]-6-methylidenecyclohexa-1,3-dien-1-ol?
The IUPAC name of (5Z)-5-[(Z)-3-aminobut-2-enylidene]-6-methylidenecyclohexa-1,3-dien-1-ol (CID 89047516) is (5Z)-5-[(Z)-3-aminobut-2-enylidene]-6-methylidenecyclohexa-1,3-dien-1-ol.
What is the SMILES notation for (5Z)-5-[(Z)-3-aminobut-2-enylidene]-6-methylidenecyclohexa-1,3-dien-1-ol?
The canonical SMILES for (5Z)-5-[(Z)-3-aminobut-2-enylidene]-6-methylidenecyclohexa-1,3-dien-1-ol is C=c1c(O)ccc/c1=C/C=C(/C)N.
What is the InChIKey of (5Z)-5-[(Z)-3-aminobut-2-enylidene]-6-methylidenecyclohexa-1,3-dien-1-ol?
The InChIKey is SRGIBKXCZJCLBC-YOYBIJIWSA-N. The full InChI is InChI=1S/C11H13NO/c1-8(12)6-7-10-4-3-5-11(13)9(10)2/h3-7,13H,2,12H2,1H3/b8-6-,10-7-.
What are the key properties of (5Z)-5-[(Z)-3-aminobut-2-enylidene]-6-methylidenecyclohexa-1,3-dien-1-ol?
(5Z)-5-[(Z)-3-aminobut-2-enylidene]-6-methylidenecyclohexa-1,3-dien-1-ol has a molecular weight of 175.23 g/mol, XLogP of 0.45, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(Z)-3-aminobut-2-enylidene]-6-methylidenecyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 89047516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).