(Z)-3-(methylamino)-1-naphthalen-2-ylprop-2-en-1-one

C14H13NO — CID 58582560

IUPAC(Z)-3-(methylamino)-1-naphthalen-2-ylprop-2-en-1-one
SMILESCN/C=C\C(=O)c1ccc2ccccc2c1
InChIInChI=1S/C14H13NO/c1-15-9-8-14(16)13-7-6-11-4-2-3-5-12(11)10-13/h2-10,15H,1H3/b9-8-
InChIKeyQTIXLXXOVAJISC-HJWRWDBZSA-N
MW211.26 g/mol
LogP2.76
Rot. Bonds3

About (Z)-3-(methylamino)-1-naphthalen-2-ylprop-2-en-1-one

(Z)-3-(methylamino)-1-naphthalen-2-ylprop-2-en-1-one (PubChem CID 58582560) has the molecular formula C14H13NO and a molecular weight of 211.26 g/mol. Its IUPAC name is (Z)-3-(methylamino)-1-naphthalen-2-ylprop-2-en-1-one.

Molecular Properties

Compound Name(Z)-3-(methylamino)-1-naphthalen-2-ylprop-2-en-1-one
PubChem CID58582560
Molecular FormulaC14H13NO
Molecular Weight211.26 g/mol
Exact Mass211.10
IUPAC Name(Z)-3-(methylamino)-1-naphthalen-2-ylprop-2-en-1-one
SMILESCN/C=C\C(=O)c1ccc2ccccc2c1
InChIInChI=1S/C14H13NO/c1-15-9-8-14(16)13-7-6-11-4-2-3-5-12(11)10-13/h2-10,15H,1H3/b9-8-
InChIKeyQTIXLXXOVAJISC-HJWRWDBZSA-N
XLogP2.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-(methylamino)-1-naphthalen-2-ylprop-2-en-1-one?
The IUPAC name of (Z)-3-(methylamino)-1-naphthalen-2-ylprop-2-en-1-one (CID 58582560) is (Z)-3-(methylamino)-1-naphthalen-2-ylprop-2-en-1-one.
What is the SMILES notation for (Z)-3-(methylamino)-1-naphthalen-2-ylprop-2-en-1-one?
The canonical SMILES for (Z)-3-(methylamino)-1-naphthalen-2-ylprop-2-en-1-one is CN/C=C\C(=O)c1ccc2ccccc2c1.
What is the InChIKey of (Z)-3-(methylamino)-1-naphthalen-2-ylprop-2-en-1-one?
The InChIKey is QTIXLXXOVAJISC-HJWRWDBZSA-N. The full InChI is InChI=1S/C14H13NO/c1-15-9-8-14(16)13-7-6-11-4-2-3-5-12(11)10-13/h2-10,15H,1H3/b9-8-.
What are the key properties of (Z)-3-(methylamino)-1-naphthalen-2-ylprop-2-en-1-one?
(Z)-3-(methylamino)-1-naphthalen-2-ylprop-2-en-1-one has a molecular weight of 211.26 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(methylamino)-1-naphthalen-2-ylprop-2-en-1-one is sourced from PubChem (CID 58582560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).