2-[(1R,2S)-1-methyl-4-methylidene-2-nitrocyclopentyl]naphthalene

C17H17NO2 — CID 102527989

IUPAC2-[(1R,2S)-1-methyl-4-methylidene-2-nitrocyclopentyl]naphthalene
SMILESC=C1C[C@H]([N+](=O)[O-])[C@@](C)(c2ccc3ccccc3c2)C1
InChIInChI=1S/C17H17NO2/c1-12-9-16(18(19)20)17(2,11-12)15-8-7-13-5-3-4-6-14(13)10-15/h3-8,10,16H,1,9,11H2,2H3/t16-,17+/m0/s1
InChIKeyHOIWSPFINYWJGA-DLBZAZTESA-N
MW267.33 g/mol
LogP4.09
Rot. Bonds2

About 2-[(1R,2S)-1-methyl-4-methylidene-2-nitrocyclopentyl]naphthalene

2-[(1R,2S)-1-methyl-4-methylidene-2-nitrocyclopentyl]naphthalene (PubChem CID 102527989) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-[(1R,2S)-1-methyl-4-methylidene-2-nitrocyclopentyl]naphthalene.

Molecular Properties

Compound Name2-[(1R,2S)-1-methyl-4-methylidene-2-nitrocyclopentyl]naphthalene
PubChem CID102527989
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name2-[(1R,2S)-1-methyl-4-methylidene-2-nitrocyclopentyl]naphthalene
SMILESC=C1C[C@H]([N+](=O)[O-])[C@@](C)(c2ccc3ccccc3c2)C1
InChIInChI=1S/C17H17NO2/c1-12-9-16(18(19)20)17(2,11-12)15-8-7-13-5-3-4-6-14(13)10-15/h3-8,10,16H,1,9,11H2,2H3/t16-,17+/m0/s1
InChIKeyHOIWSPFINYWJGA-DLBZAZTESA-N
XLogP4.09
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', '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 2-[(1R,2S)-1-methyl-4-methylidene-2-nitrocyclopentyl]naphthalene?
The IUPAC name of 2-[(1R,2S)-1-methyl-4-methylidene-2-nitrocyclopentyl]naphthalene (CID 102527989) is 2-[(1R,2S)-1-methyl-4-methylidene-2-nitrocyclopentyl]naphthalene.
What is the SMILES notation for 2-[(1R,2S)-1-methyl-4-methylidene-2-nitrocyclopentyl]naphthalene?
The canonical SMILES for 2-[(1R,2S)-1-methyl-4-methylidene-2-nitrocyclopentyl]naphthalene is C=C1C[C@H]([N+](=O)[O-])[C@@](C)(c2ccc3ccccc3c2)C1.
What is the InChIKey of 2-[(1R,2S)-1-methyl-4-methylidene-2-nitrocyclopentyl]naphthalene?
The InChIKey is HOIWSPFINYWJGA-DLBZAZTESA-N. The full InChI is InChI=1S/C17H17NO2/c1-12-9-16(18(19)20)17(2,11-12)15-8-7-13-5-3-4-6-14(13)10-15/h3-8,10,16H,1,9,11H2,2H3/t16-,17+/m0/s1.
What are the key properties of 2-[(1R,2S)-1-methyl-4-methylidene-2-nitrocyclopentyl]naphthalene?
2-[(1R,2S)-1-methyl-4-methylidene-2-nitrocyclopentyl]naphthalene has a molecular weight of 267.33 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2S)-1-methyl-4-methylidene-2-nitrocyclopentyl]naphthalene is sourced from PubChem (CID 102527989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).