(Z)-1-(3-but-3-enoxyphenyl)hex-2-en-1-imine

C16H21NO — CID 145156700

IUPAC(Z)-1-(3-but-3-enoxyphenyl)hex-2-en-1-imine
SMILES[H]/N=C(\C=C/CCC)c1cccc(OCCC=C)c1
InChIInChI=1S/C16H21NO/c1-3-5-7-11-16(17)14-9-8-10-15(13-14)18-12-6-4-2/h4,7-11,13,17H,2-3,5-6,12H2,1H3/b11-7-,17-16+
InChIKeyQRHLVAIZUUCNHI-HZRUWVBDSA-N
MW243.35 g/mol
LogP4.37
Rot. Bonds8

About (Z)-1-(3-but-3-enoxyphenyl)hex-2-en-1-imine

(Z)-1-(3-but-3-enoxyphenyl)hex-2-en-1-imine (PubChem CID 145156700) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is (Z)-1-(3-but-3-enoxyphenyl)hex-2-en-1-imine.

Molecular Properties

Compound Name(Z)-1-(3-but-3-enoxyphenyl)hex-2-en-1-imine
PubChem CID145156700
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name(Z)-1-(3-but-3-enoxyphenyl)hex-2-en-1-imine
SMILES[H]/N=C(\C=C/CCC)c1cccc(OCCC=C)c1
InChIInChI=1S/C16H21NO/c1-3-5-7-11-16(17)14-9-8-10-15(13-14)18-12-6-4-2/h4,7-11,13,17H,2-3,5-6,12H2,1H3/b11-7-,17-16+
InChIKeyQRHLVAIZUUCNHI-HZRUWVBDSA-N
XLogP4.37
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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1-fluoro-3-pent-4-enoxybenzene
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1-buta-1,3-dien-2-yl-3-ethoxybenzene
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Frequently Asked Questions

What is the IUPAC name of (Z)-1-(3-but-3-enoxyphenyl)hex-2-en-1-imine?
The IUPAC name of (Z)-1-(3-but-3-enoxyphenyl)hex-2-en-1-imine (CID 145156700) is (Z)-1-(3-but-3-enoxyphenyl)hex-2-en-1-imine.
What is the SMILES notation for (Z)-1-(3-but-3-enoxyphenyl)hex-2-en-1-imine?
The canonical SMILES for (Z)-1-(3-but-3-enoxyphenyl)hex-2-en-1-imine is [H]/N=C(\C=C/CCC)c1cccc(OCCC=C)c1.
What is the InChIKey of (Z)-1-(3-but-3-enoxyphenyl)hex-2-en-1-imine?
The InChIKey is QRHLVAIZUUCNHI-HZRUWVBDSA-N. The full InChI is InChI=1S/C16H21NO/c1-3-5-7-11-16(17)14-9-8-10-15(13-14)18-12-6-4-2/h4,7-11,13,17H,2-3,5-6,12H2,1H3/b11-7-,17-16+.
What are the key properties of (Z)-1-(3-but-3-enoxyphenyl)hex-2-en-1-imine?
(Z)-1-(3-but-3-enoxyphenyl)hex-2-en-1-imine has a molecular weight of 243.35 g/mol, XLogP of 4.37, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(3-but-3-enoxyphenyl)hex-2-en-1-imine is sourced from PubChem (CID 145156700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).