methyl 3-(methylamino)-3-naphthalen-1-ylprop-2-enoate

C15H15NO2 — CID 70419012

IUPACmethyl 3-(methylamino)-3-naphthalen-1-ylprop-2-enoate
SMILESCNC(=CC(=O)OC)c1cccc2ccccc12
InChIInChI=1S/C15H15NO2/c1-16-14(10-15(17)18-2)13-9-5-7-11-6-3-4-8-12(11)13/h3-10,16H,1-2H3
InChIKeyKTYAYCZQQKKPRF-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.57
Rot. Bonds3

About methyl 3-(methylamino)-3-naphthalen-1-ylprop-2-enoate

methyl 3-(methylamino)-3-naphthalen-1-ylprop-2-enoate (PubChem CID 70419012) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is methyl 3-(methylamino)-3-naphthalen-1-ylprop-2-enoate.

Molecular Properties

Compound Namemethyl 3-(methylamino)-3-naphthalen-1-ylprop-2-enoate
PubChem CID70419012
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Namemethyl 3-(methylamino)-3-naphthalen-1-ylprop-2-enoate
SMILESCNC(=CC(=O)OC)c1cccc2ccccc12
InChIInChI=1S/C15H15NO2/c1-16-14(10-15(17)18-2)13-9-5-7-11-6-3-4-8-12(11)13/h3-10,16H,1-2H3
InChIKeyKTYAYCZQQKKPRF-UHFFFAOYSA-N
XLogP2.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl naphthalene-1-carboxylate;dihydrochloride
CID 141115110
sodium;hydride;methyl naphthalene-1-carboxylate
CID 173423630
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methyl 3-methoxy-2-naphthalen-1-ylprop-2-enoate
CID 57075393
methyl 3-methoxy-3-(7-phenylnaphthalen-1-yl)prop-2-enoate
CID 54441570
methyl 2-methyl-3-naphthalen-1-yl-3-oxopropanoate
CID 62715188
methyl 2-(naphthalene-1-carbonylamino)acetate
CID 19789843
methyl (E)-7-(naphthalene-1-carbonylamino)-6-oxohept-2-enoate
CID 158483247
(Z)-3-amino-4-methoxy-4-methyl-1-naphthalen-1-ylpent-2-en-1-one
CID 91872079
3-methoxycarbonyl-5-(naphthalene-1-carbonyl)benzoic acid
CID 174782525
methyl (E)-3-(2-hydroxyphenyl)but-2-enoate
CID 59078190
4-methoxy-1-naphthalen-1-ylpentan-1-one
CID 105094486

Frequently Asked Questions

What is the IUPAC name of methyl 3-(methylamino)-3-naphthalen-1-ylprop-2-enoate?
The IUPAC name of methyl 3-(methylamino)-3-naphthalen-1-ylprop-2-enoate (CID 70419012) is methyl 3-(methylamino)-3-naphthalen-1-ylprop-2-enoate.
What is the SMILES notation for methyl 3-(methylamino)-3-naphthalen-1-ylprop-2-enoate?
The canonical SMILES for methyl 3-(methylamino)-3-naphthalen-1-ylprop-2-enoate is CNC(=CC(=O)OC)c1cccc2ccccc12.
What is the InChIKey of methyl 3-(methylamino)-3-naphthalen-1-ylprop-2-enoate?
The InChIKey is KTYAYCZQQKKPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-16-14(10-15(17)18-2)13-9-5-7-11-6-3-4-8-12(11)13/h3-10,16H,1-2H3.
What are the key properties of methyl 3-(methylamino)-3-naphthalen-1-ylprop-2-enoate?
methyl 3-(methylamino)-3-naphthalen-1-ylprop-2-enoate has a molecular weight of 241.29 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(methylamino)-3-naphthalen-1-ylprop-2-enoate is sourced from PubChem (CID 70419012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).