(3-oxo-1,2-dihydroinden-5-yl) (1Z)-N-hydroxymethanimidate

C10H9NO3 — CID 73013326

IUPAC(3-oxo-1,2-dihydroinden-5-yl) (1Z)-N-hydroxymethanimidate
SMILESO=C1CCc2ccc(O/C=N\O)cc21
InChIInChI=1S/C10H9NO3/c12-10-4-2-7-1-3-8(5-9(7)10)14-6-11-13/h1,3,5-6,13H,2,4H2/b11-6-
InChIKeySGMHGGKHMLWPCX-WDZFZDKYSA-N
MW191.19 g/mol
LogP1.61
Rot. Bonds2

About (3-oxo-1,2-dihydroinden-5-yl) (1Z)-N-hydroxymethanimidate

(3-oxo-1,2-dihydroinden-5-yl) (1Z)-N-hydroxymethanimidate (PubChem CID 73013326) has the molecular formula C10H9NO3 and a molecular weight of 191.19 g/mol. Its IUPAC name is (3-oxo-1,2-dihydroinden-5-yl) (1Z)-N-hydroxymethanimidate.

Molecular Properties

Compound Name(3-oxo-1,2-dihydroinden-5-yl) (1Z)-N-hydroxymethanimidate
PubChem CID73013326
Molecular FormulaC10H9NO3
Molecular Weight191.19 g/mol
Exact Mass191.06
IUPAC Name(3-oxo-1,2-dihydroinden-5-yl) (1Z)-N-hydroxymethanimidate
SMILESO=C1CCc2ccc(O/C=N\O)cc21
InChIInChI=1S/C10H9NO3/c12-10-4-2-7-1-3-8(5-9(7)10)14-6-11-13/h1,3,5-6,13H,2,4H2/b11-6-
InChIKeySGMHGGKHMLWPCX-WDZFZDKYSA-N
XLogP1.61
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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

2-hydroxyimino-6-methoxy-3H-inden-1-one;6-methoxy-2,3-dihydroinden-1-one
CID 130407306
6-trimethylsilyloxy-2,3-dihydroinden-1-one
CID 167740000
6-(3-fluoropropoxy)-2,3-dihydroinden-1-one
CID 67979471
6-(2-fluoro-5-methoxyphenyl)-2,3-dihydroinden-1-one
CID 169409888
6-(3-methyloxiran-2-yl)oxy-2,3-dihydroinden-1-one
CID 88755572
(3-oxo-1,2-dihydroinden-5-yl) (Z)-octadec-9-enoate
CID 69424372
6-nitroso-2,3-dihydroinden-1-one
CID 175309982
6-(4-hydroxybutoxy)-2,3-dihydroinden-1-one;6-hydroxy-2,3-dihydroinden-1-one
CID 158200688
3-oxo-1,2-dihydroindene-5-sulfinic acid
CID 22119038
(2E)-2-hydroxyimino-6-methoxy-3H-inden-1-one;6-methoxy-2,3-dihydroinden-1-one;3-methylbutyl nitrite
CID 172932814
(8-methyl-5,6-dihydronaphthalen-2-yl) formate
CID 174251681
3-phenoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
CID 62730603

Frequently Asked Questions

What is the IUPAC name of (3-oxo-1,2-dihydroinden-5-yl) (1Z)-N-hydroxymethanimidate?
The IUPAC name of (3-oxo-1,2-dihydroinden-5-yl) (1Z)-N-hydroxymethanimidate (CID 73013326) is (3-oxo-1,2-dihydroinden-5-yl) (1Z)-N-hydroxymethanimidate.
What is the SMILES notation for (3-oxo-1,2-dihydroinden-5-yl) (1Z)-N-hydroxymethanimidate?
The canonical SMILES for (3-oxo-1,2-dihydroinden-5-yl) (1Z)-N-hydroxymethanimidate is O=C1CCc2ccc(O/C=N\O)cc21.
What is the InChIKey of (3-oxo-1,2-dihydroinden-5-yl) (1Z)-N-hydroxymethanimidate?
The InChIKey is SGMHGGKHMLWPCX-WDZFZDKYSA-N. The full InChI is InChI=1S/C10H9NO3/c12-10-4-2-7-1-3-8(5-9(7)10)14-6-11-13/h1,3,5-6,13H,2,4H2/b11-6-.
What are the key properties of (3-oxo-1,2-dihydroinden-5-yl) (1Z)-N-hydroxymethanimidate?
(3-oxo-1,2-dihydroinden-5-yl) (1Z)-N-hydroxymethanimidate has a molecular weight of 191.19 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-oxo-1,2-dihydroinden-5-yl) (1Z)-N-hydroxymethanimidate is sourced from PubChem (CID 73013326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).