1-phenoxybut-3-en-2-imine

C10H11NO — CID 123902955

IUPAC1-phenoxybut-3-en-2-imine
SMILES[H]/N=C(\C=C)COc1ccccc1
InChIInChI=1S/C10H11NO/c1-2-9(11)8-12-10-6-4-3-5-7-10/h2-7,11H,1,8H2/b11-9+
InChIKeyFXPPELWKSCBZAO-PKNBQFBNSA-N
MW161.20 g/mol
LogP2.27
Rot. Bonds4

About 1-phenoxybut-3-en-2-imine

1-phenoxybut-3-en-2-imine (PubChem CID 123902955) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 1-phenoxybut-3-en-2-imine.

Molecular Properties

Compound Name1-phenoxybut-3-en-2-imine
PubChem CID123902955
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name1-phenoxybut-3-en-2-imine
SMILES[H]/N=C(\C=C)COc1ccccc1
InChIInChI=1S/C10H11NO/c1-2-9(11)8-12-10-6-4-3-5-7-10/h2-7,11H,1,8H2/b11-9+
InChIKeyFXPPELWKSCBZAO-PKNBQFBNSA-N
XLogP2.27
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-phenoxyphenoxy)ethanimidamide
CID 24695247
1-phenoxypent-4-en-2-one
CID 62716371
prop-2-enoic acid;prop-2-enoxybenzene
CID 174376278
CID 174846151
CID 174846151
2-(2-phenoxyethoxy)ethanimidamide
CID 24689502
2-phenoxyacetic acid;titanium
CID 174896747
ethyl 3-phenoxypropanimidate
CID 55267889
(2S)-1-phenoxybut-3-en-2-ol
CID 137281228
phosphoric acid;prop-2-enoxybenzene
CID 66665136
2-oxo-3-phenoxypropanoic acid
CID 18994126
magnesium;hydride;2-phenoxyacetic acid
CID 173069745
4-(2-imino-2-phenylethoxy)benzoic acid
CID 91226925

Frequently Asked Questions

What is the IUPAC name of 1-phenoxybut-3-en-2-imine?
The IUPAC name of 1-phenoxybut-3-en-2-imine (CID 123902955) is 1-phenoxybut-3-en-2-imine.
What is the SMILES notation for 1-phenoxybut-3-en-2-imine?
The canonical SMILES for 1-phenoxybut-3-en-2-imine is [H]/N=C(\C=C)COc1ccccc1.
What is the InChIKey of 1-phenoxybut-3-en-2-imine?
The InChIKey is FXPPELWKSCBZAO-PKNBQFBNSA-N. The full InChI is InChI=1S/C10H11NO/c1-2-9(11)8-12-10-6-4-3-5-7-10/h2-7,11H,1,8H2/b11-9+.
What are the key properties of 1-phenoxybut-3-en-2-imine?
1-phenoxybut-3-en-2-imine has a molecular weight of 161.20 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenoxybut-3-en-2-imine is sourced from PubChem (CID 123902955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).