(NE)-N-(2-naphthalen-1-yl-3-pentylcyclopent-2-en-1-ylidene)hydroxylamine

C20H23NO — CID 11558391

IUPAC(NE)-N-(2-naphthalen-1-yl-3-pentylcyclopent-2-en-1-ylidene)hydroxylamine
SMILESCCCCCC1=C(c2cccc3ccccc23)/C(=N/O)CC1
InChIInChI=1S/C20H23NO/c1-2-3-4-9-16-13-14-19(21-22)20(16)18-12-7-10-15-8-5-6-11-17(15)18/h5-8,10-12,22H,2-4,9,13-14H2,1H3/b21-19+
InChIKeyCEVGIALSHQZZLK-XUTLUUPISA-N
MW293.41 g/mol
LogP5.80
Rot. Bonds5

About (NE)-N-(2-naphthalen-1-yl-3-pentylcyclopent-2-en-1-ylidene)hydroxylamine

(NE)-N-(2-naphthalen-1-yl-3-pentylcyclopent-2-en-1-ylidene)hydroxylamine (PubChem CID 11558391) has the molecular formula C20H23NO and a molecular weight of 293.41 g/mol. Its IUPAC name is (NE)-N-(2-naphthalen-1-yl-3-pentylcyclopent-2-en-1-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(2-naphthalen-1-yl-3-pentylcyclopent-2-en-1-ylidene)hydroxylamine
PubChem CID11558391
Molecular FormulaC20H23NO
Molecular Weight293.41 g/mol
Exact Mass293.18
IUPAC Name(NE)-N-(2-naphthalen-1-yl-3-pentylcyclopent-2-en-1-ylidene)hydroxylamine
SMILESCCCCCC1=C(c2cccc3ccccc23)/C(=N/O)CC1
InChIInChI=1S/C20H23NO/c1-2-3-4-9-16-13-14-19(21-22)20(16)18-12-7-10-15-8-5-6-11-17(15)18/h5-8,10-12,22H,2-4,9,13-14H2,1H3/b21-19+
InChIKeyCEVGIALSHQZZLK-XUTLUUPISA-N
XLogP5.80
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.41
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3-aminophenyl)-3-butylcyclopent-2-en-1-ylidene]hydroxylamine
CID 73030610
1-naphthalen-1-yl-3-pentylnaphthalene
CID 23002709
(NE)-N-(5-pentyl-2,3-dihydroinden-1-ylidene)hydroxylamine
CID 87785621
1-(3-pentyl-1H-inden-2-yl)naphthalene
CID 173084421
1-tetradecylnaphthalene
CID 14402128
4-butoxy-5-naphthalen-1-yl-2,3-dihydro-1H-pyrrole
CID 173144085
5-(2-methyloctan-2-yl)-2-naphthalen-1-ylphenol
CID 70513024
1-chloropentane;perylene
CID 174651563
heptane;phenanthrene
CID 157482146
potassium;hydride;1-octylnaphthalene
CID 173443599
1,2,3-trioctylnaphthalene
CID 20513034
1-dodecylisoquinoline;hydroiodide
CID 173144441

Frequently Asked Questions

What is the IUPAC name of (NE)-N-(2-naphthalen-1-yl-3-pentylcyclopent-2-en-1-ylidene)hydroxylamine?
The IUPAC name of (NE)-N-(2-naphthalen-1-yl-3-pentylcyclopent-2-en-1-ylidene)hydroxylamine (CID 11558391) is (NE)-N-(2-naphthalen-1-yl-3-pentylcyclopent-2-en-1-ylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(2-naphthalen-1-yl-3-pentylcyclopent-2-en-1-ylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(2-naphthalen-1-yl-3-pentylcyclopent-2-en-1-ylidene)hydroxylamine is CCCCCC1=C(c2cccc3ccccc23)/C(=N/O)CC1.
What is the InChIKey of (NE)-N-(2-naphthalen-1-yl-3-pentylcyclopent-2-en-1-ylidene)hydroxylamine?
The InChIKey is CEVGIALSHQZZLK-XUTLUUPISA-N. The full InChI is InChI=1S/C20H23NO/c1-2-3-4-9-16-13-14-19(21-22)20(16)18-12-7-10-15-8-5-6-11-17(15)18/h5-8,10-12,22H,2-4,9,13-14H2,1H3/b21-19+.
What are the key properties of (NE)-N-(2-naphthalen-1-yl-3-pentylcyclopent-2-en-1-ylidene)hydroxylamine?
(NE)-N-(2-naphthalen-1-yl-3-pentylcyclopent-2-en-1-ylidene)hydroxylamine has a molecular weight of 293.41 g/mol, XLogP of 5.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(2-naphthalen-1-yl-3-pentylcyclopent-2-en-1-ylidene)hydroxylamine is sourced from PubChem (CID 11558391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).