(2E)-2-hydroxyimino-6-methyl-5,6-dihydro-3H-inden-1-one

C10H11NO2 — CID 118358068

IUPAC(2E)-2-hydroxyimino-6-methyl-5,6-dihydro-3H-inden-1-one
SMILESCC1C=C2C(=O)/C(=N/O)CC2=CC1
InChIInChI=1S/C10H11NO2/c1-6-2-3-7-5-9(11-13)10(12)8(7)4-6/h3-4,6,13H,2,5H2,1H3/b11-9+
InChIKeyIRZXQMUSHOEBOU-PKNBQFBNSA-N
MW177.20 g/mol
LogP1.68
Rot. Bonds

About (2E)-2-hydroxyimino-6-methyl-5,6-dihydro-3H-inden-1-one

(2E)-2-hydroxyimino-6-methyl-5,6-dihydro-3H-inden-1-one (PubChem CID 118358068) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is (2E)-2-hydroxyimino-6-methyl-5,6-dihydro-3H-inden-1-one.

Molecular Properties

Compound Name(2E)-2-hydroxyimino-6-methyl-5,6-dihydro-3H-inden-1-one
PubChem CID118358068
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name(2E)-2-hydroxyimino-6-methyl-5,6-dihydro-3H-inden-1-one
SMILESCC1C=C2C(=O)/C(=N/O)CC2=CC1
InChIInChI=1S/C10H11NO2/c1-6-2-3-7-5-9(11-13)10(12)8(7)4-6/h3-4,6,13H,2,5H2,1H3/b11-9+
InChIKeyIRZXQMUSHOEBOU-PKNBQFBNSA-N
XLogP1.68
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', '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

[[(3E,4Z)-4-(2-methylpropylidene)-2-oxo-3-propylidenecyclopentylidene]amino] acetate
CID 123177080
5,6-diethyl-2-hydroxyimino-3a,4-dihydro-3H-inden-1-one
CID 141052797
ethane;(2E,3Z,5E)-2-ethylidene-5-hydroxyimino-3-prop-2-enylidenecyclopentan-1-one
CID 141982616
ethane;(2E)-2-hydroxyimino-3,5,6,7-tetrahydroazulen-1-one
CID 143490260
1-[(6Z)-6-hydroxyiminocyclohexa-1,3-dien-1-yl]ethanone
CID 73013748
1-[(6E)-6-hydroxyiminocyclohexa-1,3-dien-1-yl]ethanone
CID 76853067
(2E,3Z,5E)-2-ethylidene-5-hydroxyimino-3-prop-2-enylidenecyclopentan-1-one
CID 141982617
(2E)-2-hydroxyimino-3,5,6,7-tetrahydroazulen-1-one
CID 143490261

Frequently Asked Questions

What is the IUPAC name of (2E)-2-hydroxyimino-6-methyl-5,6-dihydro-3H-inden-1-one?
The IUPAC name of (2E)-2-hydroxyimino-6-methyl-5,6-dihydro-3H-inden-1-one (CID 118358068) is (2E)-2-hydroxyimino-6-methyl-5,6-dihydro-3H-inden-1-one.
What is the SMILES notation for (2E)-2-hydroxyimino-6-methyl-5,6-dihydro-3H-inden-1-one?
The canonical SMILES for (2E)-2-hydroxyimino-6-methyl-5,6-dihydro-3H-inden-1-one is CC1C=C2C(=O)/C(=N/O)CC2=CC1.
What is the InChIKey of (2E)-2-hydroxyimino-6-methyl-5,6-dihydro-3H-inden-1-one?
The InChIKey is IRZXQMUSHOEBOU-PKNBQFBNSA-N. The full InChI is InChI=1S/C10H11NO2/c1-6-2-3-7-5-9(11-13)10(12)8(7)4-6/h3-4,6,13H,2,5H2,1H3/b11-9+.
What are the key properties of (2E)-2-hydroxyimino-6-methyl-5,6-dihydro-3H-inden-1-one?
(2E)-2-hydroxyimino-6-methyl-5,6-dihydro-3H-inden-1-one has a molecular weight of 177.20 g/mol, XLogP of 1.68, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-hydroxyimino-6-methyl-5,6-dihydro-3H-inden-1-one is sourced from PubChem (CID 118358068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).