2-[(4S)-2,2-dimethyl-4'-oxospiro[3H-pyrrole-4,1'-naphthalene]-5-yl]acetamide

C17H18N2O2 — CID 6925710

IUPAC2-[(4S)-2,2-dimethyl-4'-oxospiro[3H-pyrrole-4,1'-naphthalene]-5-yl]acetamide
SMILESCC1(C)C[C@@]2(C=CC(=O)c3ccccc32)C(CC(N)=O)=N1
InChIInChI=1S/C17H18N2O2/c1-16(2)10-17(14(19-16)9-15(18)21)8-7-13(20)11-5-3-4-6-12(11)17/h3-8H,9-10H2,1-2H3,(H2,18,21)/t17-/m1/s1
InChIKeyGYSZIOJIDHQYAD-QGZVFWFLSA-N
MW282.34 g/mol
LogP2.18
Rot. Bonds2

About 2-[(4S)-2,2-dimethyl-4'-oxospiro[3H-pyrrole-4,1'-naphthalene]-5-yl]acetamide

2-[(4S)-2,2-dimethyl-4'-oxospiro[3H-pyrrole-4,1'-naphthalene]-5-yl]acetamide (PubChem CID 6925710) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-[(4S)-2,2-dimethyl-4'-oxospiro[3H-pyrrole-4,1'-naphthalene]-5-yl]acetamide.

Molecular Properties

Compound Name2-[(4S)-2,2-dimethyl-4'-oxospiro[3H-pyrrole-4,1'-naphthalene]-5-yl]acetamide
PubChem CID6925710
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name2-[(4S)-2,2-dimethyl-4'-oxospiro[3H-pyrrole-4,1'-naphthalene]-5-yl]acetamide
SMILESCC1(C)C[C@@]2(C=CC(=O)c3ccccc32)C(CC(N)=O)=N1
InChIInChI=1S/C17H18N2O2/c1-16(2)10-17(14(19-16)9-15(18)21)8-7-13(20)11-5-3-4-6-12(11)17/h3-8H,9-10H2,1-2H3,(H2,18,21)/t17-/m1/s1
InChIKeyGYSZIOJIDHQYAD-QGZVFWFLSA-N
XLogP2.18
TPSA72.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroperoxy-4-methylnaphthalen-1-one
CID 13383451
dimethyl 4-ethenylidene-4'-oxospiro[cyclopentane-3,1'-naphthalene]-1,1-dicarboxylate
CID 102191218
5,5-dimethylspiro[1,3-dioxane-2,4'-naphthalene]-1'-one
CID 11630125
ethyl 2-[(1R)-4-oxo-1-propylnaphthalen-1-yl]acetate
CID 177496466
1,1-dimethylisoquinolin-4-one
CID 126573777
4-(1,1-difluoro-2-oxo-2-phenylethyl)-4-hydroxynaphthalen-1-one
CID 135028525
acetic acid;naphthalene-1,4-dione
CID 163817542
1-ethyl-2-(1-methylcyclopropyl)benzene
CID 159457971
3-[9-(3-amino-3-oxopropyl)fluoren-9-yl]propanamide
CID 156840120
[9-[2-[9-(methoxycarbonyloxymethyl)fluoren-9-yl]ethyl]fluoren-9-yl]methyl methyl carbonate
CID 118345017
2-(1,3-dioxoinden-2-yl)acetamide
CID 69094521
2-amino-9b-hydroxy-3H-imidazo[2,1-a]isoindol-5-one;hydrochloride
CID 42625672

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-2,2-dimethyl-4'-oxospiro[3H-pyrrole-4,1'-naphthalene]-5-yl]acetamide?
The IUPAC name of 2-[(4S)-2,2-dimethyl-4'-oxospiro[3H-pyrrole-4,1'-naphthalene]-5-yl]acetamide (CID 6925710) is 2-[(4S)-2,2-dimethyl-4'-oxospiro[3H-pyrrole-4,1'-naphthalene]-5-yl]acetamide.
What is the SMILES notation for 2-[(4S)-2,2-dimethyl-4'-oxospiro[3H-pyrrole-4,1'-naphthalene]-5-yl]acetamide?
The canonical SMILES for 2-[(4S)-2,2-dimethyl-4'-oxospiro[3H-pyrrole-4,1'-naphthalene]-5-yl]acetamide is CC1(C)C[C@@]2(C=CC(=O)c3ccccc32)C(CC(N)=O)=N1.
What is the InChIKey of 2-[(4S)-2,2-dimethyl-4'-oxospiro[3H-pyrrole-4,1'-naphthalene]-5-yl]acetamide?
The InChIKey is GYSZIOJIDHQYAD-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-16(2)10-17(14(19-16)9-15(18)21)8-7-13(20)11-5-3-4-6-12(11)17/h3-8H,9-10H2,1-2H3,(H2,18,21)/t17-/m1/s1.
What are the key properties of 2-[(4S)-2,2-dimethyl-4'-oxospiro[3H-pyrrole-4,1'-naphthalene]-5-yl]acetamide?
2-[(4S)-2,2-dimethyl-4'-oxospiro[3H-pyrrole-4,1'-naphthalene]-5-yl]acetamide has a molecular weight of 282.34 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-2,2-dimethyl-4'-oxospiro[3H-pyrrole-4,1'-naphthalene]-5-yl]acetamide is sourced from PubChem (CID 6925710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).