(E,3Z)-3-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-ylidene]-1-[(2-methylpropan-2-yl)oxy]prop-1-en-1-ol

C15H23NO2 — CID 134965643

IUPAC(E,3Z)-3-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-ylidene]-1-[(2-methylpropan-2-yl)oxy]prop-1-en-1-ol
SMILESCN(C)CC1=CC=C/C1=C/C=C(\O)OC(C)(C)C
InChIInChI=1S/C15H23NO2/c1-15(2,3)18-14(17)10-9-12-7-6-8-13(12)11-16(4)5/h6-10,17H,11H2,1-5H3/b12-9-,14-10+
InChIKeyWEDPWCBIHAJNRZ-SPEXVAAVSA-N
MW249.35 g/mol
LogP3.19
Rot. Bonds4

About (E,3Z)-3-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-ylidene]-1-[(2-methylpropan-2-yl)oxy]prop-1-en-1-ol

(E,3Z)-3-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-ylidene]-1-[(2-methylpropan-2-yl)oxy]prop-1-en-1-ol (PubChem CID 134965643) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is (E,3Z)-3-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-ylidene]-1-[(2-methylpropan-2-yl)oxy]prop-1-en-1-ol.

Molecular Properties

Compound Name(E,3Z)-3-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-ylidene]-1-[(2-methylpropan-2-yl)oxy]prop-1-en-1-ol
PubChem CID134965643
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name(E,3Z)-3-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-ylidene]-1-[(2-methylpropan-2-yl)oxy]prop-1-en-1-ol
SMILESCN(C)CC1=CC=C/C1=C/C=C(\O)OC(C)(C)C
InChIInChI=1S/C15H23NO2/c1-15(2,3)18-14(17)10-9-12-7-6-8-13(12)11-16(4)5/h6-10,17H,11H2,1-5H3/b12-9-,14-10+
InChIKeyWEDPWCBIHAJNRZ-SPEXVAAVSA-N
XLogP3.19
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

(E,3Z)-3-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-ylidene]-1-[(2-methylpropan-2-yl)oxy]prop-1-en-1-olate
CID 134965642
(1Z)-1-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-ylidene]propan-1-ol
CID 134966485
[4-[3-[(Dimethylamino)methyl]cyclopenta-2,4-dien-1-ylidene]cyclohexa-2,5-dien-1-ylidene]-methoxymethanol
CID 168011043
(E)-[(6Z)-6-[3-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-ylidene]cyclohexa-2,4-dien-1-ylidene]-methoxymethanol
CID 168011082

Frequently Asked Questions

What is the IUPAC name of (E,3Z)-3-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-ylidene]-1-[(2-methylpropan-2-yl)oxy]prop-1-en-1-ol?
The IUPAC name of (E,3Z)-3-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-ylidene]-1-[(2-methylpropan-2-yl)oxy]prop-1-en-1-ol (CID 134965643) is (E,3Z)-3-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-ylidene]-1-[(2-methylpropan-2-yl)oxy]prop-1-en-1-ol.
What is the SMILES notation for (E,3Z)-3-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-ylidene]-1-[(2-methylpropan-2-yl)oxy]prop-1-en-1-ol?
The canonical SMILES for (E,3Z)-3-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-ylidene]-1-[(2-methylpropan-2-yl)oxy]prop-1-en-1-ol is CN(C)CC1=CC=C/C1=C/C=C(\O)OC(C)(C)C.
What is the InChIKey of (E,3Z)-3-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-ylidene]-1-[(2-methylpropan-2-yl)oxy]prop-1-en-1-ol?
The InChIKey is WEDPWCBIHAJNRZ-SPEXVAAVSA-N. The full InChI is InChI=1S/C15H23NO2/c1-15(2,3)18-14(17)10-9-12-7-6-8-13(12)11-16(4)5/h6-10,17H,11H2,1-5H3/b12-9-,14-10+.
What are the key properties of (E,3Z)-3-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-ylidene]-1-[(2-methylpropan-2-yl)oxy]prop-1-en-1-ol?
(E,3Z)-3-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-ylidene]-1-[(2-methylpropan-2-yl)oxy]prop-1-en-1-ol has a molecular weight of 249.35 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3Z)-3-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-ylidene]-1-[(2-methylpropan-2-yl)oxy]prop-1-en-1-ol is sourced from PubChem (CID 134965643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).