(2S)-2-[[methyl(prop-2-enyl)amino]methyl]-3,4-dihydro-2H-naphthalen-1-one

C15H19NO — CID 125478186

IUPAC(2S)-2-[[methyl(prop-2-enyl)amino]methyl]-3,4-dihydro-2H-naphthalen-1-one
SMILESC=CCN(C)C[C@@H]1CCc2ccccc2C1=O
InChIInChI=1S/C15H19NO/c1-3-10-16(2)11-13-9-8-12-6-4-5-7-14(12)15(13)17/h3-7,13H,1,8-11H2,2H3/t13-/m0/s1
InChIKeyVBZNVYQFOJXRBP-ZDUSSCGKSA-N
MW229.32 g/mol
LogP2.55
Rot. Bonds4

About (2S)-2-[[methyl(prop-2-enyl)amino]methyl]-3,4-dihydro-2H-naphthalen-1-one

(2S)-2-[[methyl(prop-2-enyl)amino]methyl]-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 125478186) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is (2S)-2-[[methyl(prop-2-enyl)amino]methyl]-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name(2S)-2-[[methyl(prop-2-enyl)amino]methyl]-3,4-dihydro-2H-naphthalen-1-one
PubChem CID125478186
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name(2S)-2-[[methyl(prop-2-enyl)amino]methyl]-3,4-dihydro-2H-naphthalen-1-one
SMILESC=CCN(C)C[C@@H]1CCc2ccccc2C1=O
InChIInChI=1S/C15H19NO/c1-3-10-16(2)11-13-9-8-12-6-4-5-7-14(12)15(13)17/h3-7,13H,1,8-11H2,2H3/t13-/m0/s1
InChIKeyVBZNVYQFOJXRBP-ZDUSSCGKSA-N
XLogP2.55
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[methyl(prop-2-enyl)amino]methyl]-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of (2S)-2-[[methyl(prop-2-enyl)amino]methyl]-3,4-dihydro-2H-naphthalen-1-one (CID 125478186) is (2S)-2-[[methyl(prop-2-enyl)amino]methyl]-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for (2S)-2-[[methyl(prop-2-enyl)amino]methyl]-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for (2S)-2-[[methyl(prop-2-enyl)amino]methyl]-3,4-dihydro-2H-naphthalen-1-one is C=CCN(C)C[C@@H]1CCc2ccccc2C1=O.
What is the InChIKey of (2S)-2-[[methyl(prop-2-enyl)amino]methyl]-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is VBZNVYQFOJXRBP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H19NO/c1-3-10-16(2)11-13-9-8-12-6-4-5-7-14(12)15(13)17/h3-7,13H,1,8-11H2,2H3/t13-/m0/s1.
What are the key properties of (2S)-2-[[methyl(prop-2-enyl)amino]methyl]-3,4-dihydro-2H-naphthalen-1-one?
(2S)-2-[[methyl(prop-2-enyl)amino]methyl]-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 229.32 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[methyl(prop-2-enyl)amino]methyl]-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 125478186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).