2-pent-4-en-2-yloxy-1-phenylethanimine

C13H17NO — CID 155301968

IUPAC2-pent-4-en-2-yloxy-1-phenylethanimine
SMILES[H]/N=C(\COC(C)CC=C)c1ccccc1
InChIInChI=1S/C13H17NO/c1-3-7-11(2)15-10-13(14)12-8-5-4-6-9-12/h3-6,8-9,11,14H,1,7,10H2,2H3/b14-13+
InChIKeyBTQIDNWQVJKWHB-BUHFOSPRSA-N
MW203.29 g/mol
LogP3.04
Rot. Bonds6

About 2-pent-4-en-2-yloxy-1-phenylethanimine

2-pent-4-en-2-yloxy-1-phenylethanimine (PubChem CID 155301968) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is 2-pent-4-en-2-yloxy-1-phenylethanimine.

Molecular Properties

Compound Name2-pent-4-en-2-yloxy-1-phenylethanimine
PubChem CID155301968
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name2-pent-4-en-2-yloxy-1-phenylethanimine
SMILES[H]/N=C(\COC(C)CC=C)c1ccccc1
InChIInChI=1S/C13H17NO/c1-3-7-11(2)15-10-13(14)12-8-5-4-6-9-12/h3-6,8-9,11,14H,1,7,10H2,2H3/b14-13+
InChIKeyBTQIDNWQVJKWHB-BUHFOSPRSA-N
XLogP3.04
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4-imino-4-phenylbutan-2-yl) formate
CID 174425924
1-phenyl-2-prop-2-enylsulfanylethanimine
CID 10655350
pent-4-en-2-yl phenylselanylformate
CID 10333274
2-chloro-1-phenylethanimine
CID 13240605
4-(2-imino-2-phenylethoxy)benzoic acid
CID 91226925
(2S,3R)-3-phenylhex-5-en-2-ol
CID 129363226
(Z)-6-imino-6-phenyl-4-(propan-2-ylamino)hex-3-en-2-one
CID 10444787
[(2S,3S)-3-hydroxyhex-5-en-2-yl] benzoate
CID 134930488
4-ethoxypent-1-ene
CID 12776575
(2R)-4-methyl-1-phenyl-2-prop-2-enylpentane-1,3-dione
CID 101163136
[2-(3-methylbutanimidoyl)phenyl] benzoate
CID 146420931
[(2R)-2-(methoxymethoxy)pent-4-enyl] benzoate
CID 121004547

Frequently Asked Questions

What is the IUPAC name of 2-pent-4-en-2-yloxy-1-phenylethanimine?
The IUPAC name of 2-pent-4-en-2-yloxy-1-phenylethanimine (CID 155301968) is 2-pent-4-en-2-yloxy-1-phenylethanimine.
What is the SMILES notation for 2-pent-4-en-2-yloxy-1-phenylethanimine?
The canonical SMILES for 2-pent-4-en-2-yloxy-1-phenylethanimine is [H]/N=C(\COC(C)CC=C)c1ccccc1.
What is the InChIKey of 2-pent-4-en-2-yloxy-1-phenylethanimine?
The InChIKey is BTQIDNWQVJKWHB-BUHFOSPRSA-N. The full InChI is InChI=1S/C13H17NO/c1-3-7-11(2)15-10-13(14)12-8-5-4-6-9-12/h3-6,8-9,11,14H,1,7,10H2,2H3/b14-13+.
What are the key properties of 2-pent-4-en-2-yloxy-1-phenylethanimine?
2-pent-4-en-2-yloxy-1-phenylethanimine has a molecular weight of 203.29 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pent-4-en-2-yloxy-1-phenylethanimine is sourced from PubChem (CID 155301968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).