N-[(1S)-7-oxo-2,3,4,8-tetrahydro-1H-naphthalen-1-yl]acetamide

C12H15NO2 — CID 70619418

IUPACN-[(1S)-7-oxo-2,3,4,8-tetrahydro-1H-naphthalen-1-yl]acetamide
SMILESCC(=O)N[C@H]1CCCC2=C1CC(=O)C=C2
InChIInChI=1S/C12H15NO2/c1-8(14)13-12-4-2-3-9-5-6-10(15)7-11(9)12/h5-6,12H,2-4,7H2,1H3,(H,13,14)/t12-/m0/s1
InChIKeyFDHKEMMSNWYKNB-LBPRGKRZSA-N
MW205.26 g/mol
LogP1.50
Rot. Bonds1

About N-[(1S)-7-oxo-2,3,4,8-tetrahydro-1H-naphthalen-1-yl]acetamide

N-[(1S)-7-oxo-2,3,4,8-tetrahydro-1H-naphthalen-1-yl]acetamide (PubChem CID 70619418) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is N-[(1S)-7-oxo-2,3,4,8-tetrahydro-1H-naphthalen-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1S)-7-oxo-2,3,4,8-tetrahydro-1H-naphthalen-1-yl]acetamide
PubChem CID70619418
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC NameN-[(1S)-7-oxo-2,3,4,8-tetrahydro-1H-naphthalen-1-yl]acetamide
SMILESCC(=O)N[C@H]1CCCC2=C1CC(=O)C=C2
InChIInChI=1S/C12H15NO2/c1-8(14)13-12-4-2-3-9-5-6-10(15)7-11(9)12/h5-6,12H,2-4,7H2,1H3,(H,13,14)/t12-/m0/s1
InChIKeyFDHKEMMSNWYKNB-LBPRGKRZSA-N
XLogP1.50
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-7-oxo-2,3,4,8-tetrahydro-1H-naphthalen-1-yl]acetamide?
The IUPAC name of N-[(1S)-7-oxo-2,3,4,8-tetrahydro-1H-naphthalen-1-yl]acetamide (CID 70619418) is N-[(1S)-7-oxo-2,3,4,8-tetrahydro-1H-naphthalen-1-yl]acetamide.
What is the SMILES notation for N-[(1S)-7-oxo-2,3,4,8-tetrahydro-1H-naphthalen-1-yl]acetamide?
The canonical SMILES for N-[(1S)-7-oxo-2,3,4,8-tetrahydro-1H-naphthalen-1-yl]acetamide is CC(=O)N[C@H]1CCCC2=C1CC(=O)C=C2.
What is the InChIKey of N-[(1S)-7-oxo-2,3,4,8-tetrahydro-1H-naphthalen-1-yl]acetamide?
The InChIKey is FDHKEMMSNWYKNB-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H15NO2/c1-8(14)13-12-4-2-3-9-5-6-10(15)7-11(9)12/h5-6,12H,2-4,7H2,1H3,(H,13,14)/t12-/m0/s1.
What are the key properties of N-[(1S)-7-oxo-2,3,4,8-tetrahydro-1H-naphthalen-1-yl]acetamide?
N-[(1S)-7-oxo-2,3,4,8-tetrahydro-1H-naphthalen-1-yl]acetamide has a molecular weight of 205.26 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-7-oxo-2,3,4,8-tetrahydro-1H-naphthalen-1-yl]acetamide is sourced from PubChem (CID 70619418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).