1-[(3E)-3-[(E)-3-(dimethylamino)pent-2-enylidene]-4-methylcyclohexa-1,5-dien-1-yl]ethanol

C16H25NO — CID 143192405

IUPAC1-[(3E)-3-[(E)-3-(dimethylamino)pent-2-enylidene]-4-methylcyclohexa-1,5-dien-1-yl]ethanol
SMILESCC/C(=C\C=C1\C=C(C(C)O)C=CC1C)N(C)C
InChIInChI=1S/C16H25NO/c1-6-16(17(4)5)10-9-14-11-15(13(3)18)8-7-12(14)2/h7-13,18H,6H2,1-5H3/b14-9-,16-10+
InChIKeyRSBRDKDNPKGPSU-IDMWQADZSA-N
MW247.38 g/mol
LogP3.28
Rot. Bonds4

About 1-[(3E)-3-[(E)-3-(dimethylamino)pent-2-enylidene]-4-methylcyclohexa-1,5-dien-1-yl]ethanol

1-[(3E)-3-[(E)-3-(dimethylamino)pent-2-enylidene]-4-methylcyclohexa-1,5-dien-1-yl]ethanol (PubChem CID 143192405) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-[(3E)-3-[(E)-3-(dimethylamino)pent-2-enylidene]-4-methylcyclohexa-1,5-dien-1-yl]ethanol.

Molecular Properties

Compound Name1-[(3E)-3-[(E)-3-(dimethylamino)pent-2-enylidene]-4-methylcyclohexa-1,5-dien-1-yl]ethanol
PubChem CID143192405
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-[(3E)-3-[(E)-3-(dimethylamino)pent-2-enylidene]-4-methylcyclohexa-1,5-dien-1-yl]ethanol
SMILESCC/C(=C\C=C1\C=C(C(C)O)C=CC1C)N(C)C
InChIInChI=1S/C16H25NO/c1-6-16(17(4)5)10-9-14-11-15(13(3)18)8-7-12(14)2/h7-13,18H,6H2,1-5H3/b14-9-,16-10+
InChIKeyRSBRDKDNPKGPSU-IDMWQADZSA-N
XLogP3.28
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3E)-3-[(E)-3-(dimethylamino)pent-2-enylidene]-4-methylcyclohexa-1,5-dien-1-yl]ethanol?
The IUPAC name of 1-[(3E)-3-[(E)-3-(dimethylamino)pent-2-enylidene]-4-methylcyclohexa-1,5-dien-1-yl]ethanol (CID 143192405) is 1-[(3E)-3-[(E)-3-(dimethylamino)pent-2-enylidene]-4-methylcyclohexa-1,5-dien-1-yl]ethanol.
What is the SMILES notation for 1-[(3E)-3-[(E)-3-(dimethylamino)pent-2-enylidene]-4-methylcyclohexa-1,5-dien-1-yl]ethanol?
The canonical SMILES for 1-[(3E)-3-[(E)-3-(dimethylamino)pent-2-enylidene]-4-methylcyclohexa-1,5-dien-1-yl]ethanol is CC/C(=C\C=C1\C=C(C(C)O)C=CC1C)N(C)C.
What is the InChIKey of 1-[(3E)-3-[(E)-3-(dimethylamino)pent-2-enylidene]-4-methylcyclohexa-1,5-dien-1-yl]ethanol?
The InChIKey is RSBRDKDNPKGPSU-IDMWQADZSA-N. The full InChI is InChI=1S/C16H25NO/c1-6-16(17(4)5)10-9-14-11-15(13(3)18)8-7-12(14)2/h7-13,18H,6H2,1-5H3/b14-9-,16-10+.
What are the key properties of 1-[(3E)-3-[(E)-3-(dimethylamino)pent-2-enylidene]-4-methylcyclohexa-1,5-dien-1-yl]ethanol?
1-[(3E)-3-[(E)-3-(dimethylamino)pent-2-enylidene]-4-methylcyclohexa-1,5-dien-1-yl]ethanol has a molecular weight of 247.38 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3E)-3-[(E)-3-(dimethylamino)pent-2-enylidene]-4-methylcyclohexa-1,5-dien-1-yl]ethanol is sourced from PubChem (CID 143192405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).