4-[(E)-N-hydroxy-C-methylcarbonimidoyl]-1,2-dihydroacenaphthylen-5-ol

C14H13NO2 — CID 135455311

IUPAC4-[(E)-N-hydroxy-C-methylcarbonimidoyl]-1,2-dihydroacenaphthylen-5-ol
SMILESC/C(=N\O)c1cc2c3c(cccc3c1O)CC2
InChIInChI=1S/C14H13NO2/c1-8(15-17)12-7-10-6-5-9-3-2-4-11(13(9)10)14(12)16/h2-4,7,16-17H,5-6H2,1H3/b15-8+
InChIKeyHKEAFTIASNBNJN-OVCLIPMQSA-N
MW227.26 g/mol
LogP2.84
Rot. Bonds1

About 4-[(E)-N-hydroxy-C-methylcarbonimidoyl]-1,2-dihydroacenaphthylen-5-ol

4-[(E)-N-hydroxy-C-methylcarbonimidoyl]-1,2-dihydroacenaphthylen-5-ol (PubChem CID 135455311) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is 4-[(E)-N-hydroxy-C-methylcarbonimidoyl]-1,2-dihydroacenaphthylen-5-ol.

Molecular Properties

Compound Name4-[(E)-N-hydroxy-C-methylcarbonimidoyl]-1,2-dihydroacenaphthylen-5-ol
PubChem CID135455311
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Name4-[(E)-N-hydroxy-C-methylcarbonimidoyl]-1,2-dihydroacenaphthylen-5-ol
SMILESC/C(=N\O)c1cc2c3c(cccc3c1O)CC2
InChIInChI=1S/C14H13NO2/c1-8(15-17)12-7-10-6-5-9-3-2-4-11(13(9)10)14(12)16/h2-4,7,16-17H,5-6H2,1H3/b15-8+
InChIKeyHKEAFTIASNBNJN-OVCLIPMQSA-N
XLogP2.84
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-N-hydroxy-C-methylcarbonimidoyl]-1,2-dihydroacenaphthylen-5-ol?
The IUPAC name of 4-[(E)-N-hydroxy-C-methylcarbonimidoyl]-1,2-dihydroacenaphthylen-5-ol (CID 135455311) is 4-[(E)-N-hydroxy-C-methylcarbonimidoyl]-1,2-dihydroacenaphthylen-5-ol.
What is the SMILES notation for 4-[(E)-N-hydroxy-C-methylcarbonimidoyl]-1,2-dihydroacenaphthylen-5-ol?
The canonical SMILES for 4-[(E)-N-hydroxy-C-methylcarbonimidoyl]-1,2-dihydroacenaphthylen-5-ol is C/C(=N\O)c1cc2c3c(cccc3c1O)CC2.
What is the InChIKey of 4-[(E)-N-hydroxy-C-methylcarbonimidoyl]-1,2-dihydroacenaphthylen-5-ol?
The InChIKey is HKEAFTIASNBNJN-OVCLIPMQSA-N. The full InChI is InChI=1S/C14H13NO2/c1-8(15-17)12-7-10-6-5-9-3-2-4-11(13(9)10)14(12)16/h2-4,7,16-17H,5-6H2,1H3/b15-8+.
What are the key properties of 4-[(E)-N-hydroxy-C-methylcarbonimidoyl]-1,2-dihydroacenaphthylen-5-ol?
4-[(E)-N-hydroxy-C-methylcarbonimidoyl]-1,2-dihydroacenaphthylen-5-ol has a molecular weight of 227.26 g/mol, XLogP of 2.84, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-N-hydroxy-C-methylcarbonimidoyl]-1,2-dihydroacenaphthylen-5-ol is sourced from PubChem (CID 135455311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).