1-(1-amino-3-methylnaphthalen-2-yl)prop-2-en-1-one

C14H13NO — CID 141293955

IUPAC1-(1-amino-3-methylnaphthalen-2-yl)prop-2-en-1-one
SMILESC=CC(=O)c1c(C)cc2ccccc2c1N
InChIInChI=1S/C14H13NO/c1-3-12(16)13-9(2)8-10-6-4-5-7-11(10)14(13)15/h3-8H,1,15H2,2H3
InChIKeyQZCZMKCMZADZQE-UHFFFAOYSA-N
MW211.26 g/mol
LogP3.10
Rot. Bonds2

About 1-(1-amino-3-methylnaphthalen-2-yl)prop-2-en-1-one

1-(1-amino-3-methylnaphthalen-2-yl)prop-2-en-1-one (PubChem CID 141293955) has the molecular formula C14H13NO and a molecular weight of 211.26 g/mol. Its IUPAC name is 1-(1-amino-3-methylnaphthalen-2-yl)prop-2-en-1-one.

Molecular Properties

Compound Name1-(1-amino-3-methylnaphthalen-2-yl)prop-2-en-1-one
PubChem CID141293955
Molecular FormulaC14H13NO
Molecular Weight211.26 g/mol
Exact Mass211.10
IUPAC Name1-(1-amino-3-methylnaphthalen-2-yl)prop-2-en-1-one
SMILESC=CC(=O)c1c(C)cc2ccccc2c1N
InChIInChI=1S/C14H13NO/c1-3-12(16)13-9(2)8-10-6-4-5-7-11(10)14(13)15/h3-8H,1,15H2,2H3
InChIKeyQZCZMKCMZADZQE-UHFFFAOYSA-N
XLogP3.10
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(1-amino-3-methylanthracen-2-yl)prop-2-en-1-one
CID 141293956
1-amino-3-methylnaphthalene-2-carboxylic acid
CID 45089580
1,3-dimethylnaphthalene-2-carbonyl chloride
CID 54124479
1-(2,3-dimethylnaphthalen-1-yl)ethanone
CID 19884371
1-(5,7-dimethyl-1H-indol-4-yl)prop-2-en-1-one
CID 90057158
3-amino-2-methylnaphthalene-1-carboxylic acid
CID 154166226
methyl 1-amino-3-(4-methoxynaphthalen-1-yl)naphthalene-2-carboxylate
CID 102334359
1-(4-amino-3-methylphenyl)prop-2-en-1-one
CID 116553934
1-(5-methylnaphthalen-1-yl)prop-2-en-1-one
CID 89106757
bis(prop-2-enyl) 2-methylnaphthalene-1,3-dicarboxylate
CID 53236040
phenanthrene;prop-2-enoic acid
CID 88600118
methanamine;1-phenylprop-2-en-1-one
CID 91395058

Frequently Asked Questions

What is the IUPAC name of 1-(1-amino-3-methylnaphthalen-2-yl)prop-2-en-1-one?
The IUPAC name of 1-(1-amino-3-methylnaphthalen-2-yl)prop-2-en-1-one (CID 141293955) is 1-(1-amino-3-methylnaphthalen-2-yl)prop-2-en-1-one.
What is the SMILES notation for 1-(1-amino-3-methylnaphthalen-2-yl)prop-2-en-1-one?
The canonical SMILES for 1-(1-amino-3-methylnaphthalen-2-yl)prop-2-en-1-one is C=CC(=O)c1c(C)cc2ccccc2c1N.
What is the InChIKey of 1-(1-amino-3-methylnaphthalen-2-yl)prop-2-en-1-one?
The InChIKey is QZCZMKCMZADZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO/c1-3-12(16)13-9(2)8-10-6-4-5-7-11(10)14(13)15/h3-8H,1,15H2,2H3.
What are the key properties of 1-(1-amino-3-methylnaphthalen-2-yl)prop-2-en-1-one?
1-(1-amino-3-methylnaphthalen-2-yl)prop-2-en-1-one has a molecular weight of 211.26 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-amino-3-methylnaphthalen-2-yl)prop-2-en-1-one is sourced from PubChem (CID 141293955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).