(E)-diethylamino-(2-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)methanol

C13H19NO2 — CID 15970652

IUPAC(E)-diethylamino-(2-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)methanol
SMILESC=c1cccc(OC)/c1=C(/O)N(CC)CC
InChIInChI=1S/C13H19NO2/c1-5-14(6-2)13(15)12-10(3)8-7-9-11(12)16-4/h7-9,15H,3,5-6H2,1-2,4H3/b13-12+
InChIKeyRKXCCSBQGXNPFD-OUKQBFOZSA-N
MW221.30 g/mol
LogP1.07
Rot. Bonds4

About (E)-diethylamino-(2-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)methanol

(E)-diethylamino-(2-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)methanol (PubChem CID 15970652) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is (E)-diethylamino-(2-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)methanol.

Molecular Properties

Compound Name(E)-diethylamino-(2-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)methanol
PubChem CID15970652
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name(E)-diethylamino-(2-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)methanol
SMILESC=c1cccc(OC)/c1=C(/O)N(CC)CC
InChIInChI=1S/C13H19NO2/c1-5-14(6-2)13(15)12-10(3)8-7-9-11(12)16-4/h7-9,15H,3,5-6H2,1-2,4H3/b13-12+
InChIKeyRKXCCSBQGXNPFD-OUKQBFOZSA-N
XLogP1.07
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (E)-diethylamino-(2-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)methanol?
The IUPAC name of (E)-diethylamino-(2-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)methanol (CID 15970652) is (E)-diethylamino-(2-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)methanol.
What is the SMILES notation for (E)-diethylamino-(2-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)methanol?
The canonical SMILES for (E)-diethylamino-(2-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)methanol is C=c1cccc(OC)/c1=C(/O)N(CC)CC.
What is the InChIKey of (E)-diethylamino-(2-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)methanol?
The InChIKey is RKXCCSBQGXNPFD-OUKQBFOZSA-N. The full InChI is InChI=1S/C13H19NO2/c1-5-14(6-2)13(15)12-10(3)8-7-9-11(12)16-4/h7-9,15H,3,5-6H2,1-2,4H3/b13-12+.
What are the key properties of (E)-diethylamino-(2-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)methanol?
(E)-diethylamino-(2-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)methanol has a molecular weight of 221.30 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-diethylamino-(2-methoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)methanol is sourced from PubChem (CID 15970652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).