(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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Related Compounds

(6E)-6-butylidene-1-methoxy-5-methylidenecyclohexa-1,3-diene
CID 142354189
N-benzyl-N-ethyl-2-(2-methoxyphenoxy)acetamide
CID 78762319
1-(2-ethoxy-6-methoxyphenyl)ethenol
CID 142811438
2-(2,6-dimethoxyphenoxy)-N-ethyl-N-(2-methylprop-2-enyl)acetamide
CID 78767254
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2,6-dimethoxybenzoate
CID 55314057
N-[2-(diethylamino)-2-oxoethyl]-2-(2-methoxyphenyl)-N-methylacetamide
CID 134049675
2-acetyl-N,N-diethyl-3-methoxybenzamide
CID 19802545
N-benzyl-N-ethyl-2-[(2-methoxyphenyl)methylamino]acetamide
CID 108998287
N,N-dibenzyl-3-(2,6-dimethoxyphenyl)propanamide
CID 100789556
3-(N-[2-(diethylamino)-2-oxoethyl]-2-methoxyanilino)propanoic acid
CID 95529086
2-ethylsulfanyl-1,3-dimethoxybenzene
CID 12913383
N-ethyl-N-(2-methoxyphenyl)benzamide
CID 138322543

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).