(E)-3-(2-prop-2-enoxynaphthalen-1-yl)prop-2-enamide

C16H15NO2 — CID 170876678

IUPAC(E)-3-(2-prop-2-enoxynaphthalen-1-yl)prop-2-enamide
SMILESC=CCOc1ccc2ccccc2c1/C=C/C(N)=O
InChIInChI=1S/C16H15NO2/c1-2-11-19-15-9-7-12-5-3-4-6-13(12)14(15)8-10-16(17)18/h2-10H,1,11H2,(H2,17,18)/b10-8+
InChIKeyQIMRQHUPTKTIKE-CSKARUKUSA-N
MW253.30 g/mol
LogP2.90
Rot. Bonds5

About (E)-3-(2-prop-2-enoxynaphthalen-1-yl)prop-2-enamide

(E)-3-(2-prop-2-enoxynaphthalen-1-yl)prop-2-enamide (PubChem CID 170876678) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is (E)-3-(2-prop-2-enoxynaphthalen-1-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-prop-2-enoxynaphthalen-1-yl)prop-2-enamide
PubChem CID170876678
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name(E)-3-(2-prop-2-enoxynaphthalen-1-yl)prop-2-enamide
SMILESC=CCOc1ccc2ccccc2c1/C=C/C(N)=O
InChIInChI=1S/C16H15NO2/c1-2-11-19-15-9-7-12-5-3-4-6-13(12)14(15)8-10-16(17)18/h2-10H,1,11H2,(H2,17,18)/b10-8+
InChIKeyQIMRQHUPTKTIKE-CSKARUKUSA-N
XLogP2.90
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(2-methoxynaphthalen-1-yl)prop-2-enamide
CID 169482467
methyl 2-prop-2-enoxynaphthalene-1-carboxylate
CID 118875774
2-[1-(2-carboxyethenyl)naphthalen-2-yl]oxypropanoic acid
CID 76914309
ethyl (E)-3-(2-methoxynaphthalen-1-yl)prop-2-enoate
CID 24905749
2-[(Z)-4-prop-2-enoxybut-2-enoxy]naphthalene-1-carbaldehyde
CID 44521633
3-[2-(2-naphthalen-2-yloxyethoxy)naphthalen-1-yl]prop-2-enoic acid
CID 20993650
(E)-4-(2-methoxynaphthalen-1-yl)-2-oxobut-3-enoic acid
CID 82161137
1-(2-prop-2-enoxynaphthalen-1-yl)naphthalen-2-ol;sulfane
CID 160621443
(E)-3-(2-methoxynaphthalen-1-yl)-1-phenylprop-2-en-1-one
CID 5351689
6-(1-formylnaphthalen-2-yl)oxyhexyl prop-2-enoate
CID 20798470
1-ethenyl-2-(2-methoxyethoxy)naphthalene
CID 176513404
2-(3-methylbut-2-enoxy)naphthalene-1-carbaldehyde
CID 10823964

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-prop-2-enoxynaphthalen-1-yl)prop-2-enamide?
The IUPAC name of (E)-3-(2-prop-2-enoxynaphthalen-1-yl)prop-2-enamide (CID 170876678) is (E)-3-(2-prop-2-enoxynaphthalen-1-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2-prop-2-enoxynaphthalen-1-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(2-prop-2-enoxynaphthalen-1-yl)prop-2-enamide is C=CCOc1ccc2ccccc2c1/C=C/C(N)=O.
What is the InChIKey of (E)-3-(2-prop-2-enoxynaphthalen-1-yl)prop-2-enamide?
The InChIKey is QIMRQHUPTKTIKE-CSKARUKUSA-N. The full InChI is InChI=1S/C16H15NO2/c1-2-11-19-15-9-7-12-5-3-4-6-13(12)14(15)8-10-16(17)18/h2-10H,1,11H2,(H2,17,18)/b10-8+.
What are the key properties of (E)-3-(2-prop-2-enoxynaphthalen-1-yl)prop-2-enamide?
(E)-3-(2-prop-2-enoxynaphthalen-1-yl)prop-2-enamide has a molecular weight of 253.30 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-prop-2-enoxynaphthalen-1-yl)prop-2-enamide is sourced from PubChem (CID 170876678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).