(2Z)-2-(3,4-dihydro-2H-naphthalen-1-ylidene)-N-methoxy-N-methylacetamide

C14H17NO2 — CID 89186120

IUPAC(2Z)-2-(3,4-dihydro-2H-naphthalen-1-ylidene)-N-methoxy-N-methylacetamide
SMILESCON(C)C(=O)/C=C1/CCCc2ccccc21
InChIInChI=1S/C14H17NO2/c1-15(17-2)14(16)10-12-8-5-7-11-6-3-4-9-13(11)12/h3-4,6,9-10H,5,7-8H2,1-2H3/b12-10-
InChIKeyWAACVHQLVHTCLZ-BENRWUELSA-N
MW231.30 g/mol
LogP2.43
Rot. Bonds2

About (2Z)-2-(3,4-dihydro-2H-naphthalen-1-ylidene)-N-methoxy-N-methylacetamide

(2Z)-2-(3,4-dihydro-2H-naphthalen-1-ylidene)-N-methoxy-N-methylacetamide (PubChem CID 89186120) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is (2Z)-2-(3,4-dihydro-2H-naphthalen-1-ylidene)-N-methoxy-N-methylacetamide.

Molecular Properties

Compound Name(2Z)-2-(3,4-dihydro-2H-naphthalen-1-ylidene)-N-methoxy-N-methylacetamide
PubChem CID89186120
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name(2Z)-2-(3,4-dihydro-2H-naphthalen-1-ylidene)-N-methoxy-N-methylacetamide
SMILESCON(C)C(=O)/C=C1/CCCc2ccccc21
InChIInChI=1S/C14H17NO2/c1-15(17-2)14(16)10-12-8-5-7-11-6-3-4-9-13(11)12/h3-4,6,9-10H,5,7-8H2,1-2H3/b12-10-
InChIKeyWAACVHQLVHTCLZ-BENRWUELSA-N
XLogP2.43
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(3,4-dihydro-2H-naphthalen-1-ylidene)-N-methoxy-N-methylacetamide?
The IUPAC name of (2Z)-2-(3,4-dihydro-2H-naphthalen-1-ylidene)-N-methoxy-N-methylacetamide (CID 89186120) is (2Z)-2-(3,4-dihydro-2H-naphthalen-1-ylidene)-N-methoxy-N-methylacetamide.
What is the SMILES notation for (2Z)-2-(3,4-dihydro-2H-naphthalen-1-ylidene)-N-methoxy-N-methylacetamide?
The canonical SMILES for (2Z)-2-(3,4-dihydro-2H-naphthalen-1-ylidene)-N-methoxy-N-methylacetamide is CON(C)C(=O)/C=C1/CCCc2ccccc21.
What is the InChIKey of (2Z)-2-(3,4-dihydro-2H-naphthalen-1-ylidene)-N-methoxy-N-methylacetamide?
The InChIKey is WAACVHQLVHTCLZ-BENRWUELSA-N. The full InChI is InChI=1S/C14H17NO2/c1-15(17-2)14(16)10-12-8-5-7-11-6-3-4-9-13(11)12/h3-4,6,9-10H,5,7-8H2,1-2H3/b12-10-.
What are the key properties of (2Z)-2-(3,4-dihydro-2H-naphthalen-1-ylidene)-N-methoxy-N-methylacetamide?
(2Z)-2-(3,4-dihydro-2H-naphthalen-1-ylidene)-N-methoxy-N-methylacetamide has a molecular weight of 231.30 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(3,4-dihydro-2H-naphthalen-1-ylidene)-N-methoxy-N-methylacetamide is sourced from PubChem (CID 89186120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).