(2Z)-2-hydroxyimino-6-propyl-3H-inden-1-one

C12H13NO2 — CID 19710247

IUPAC(2Z)-2-hydroxyimino-6-propyl-3H-inden-1-one
SMILESCCCc1ccc2c(c1)C(=O)/C(=N\O)C2
InChIInChI=1S/C12H13NO2/c1-2-3-8-4-5-9-7-11(13-15)12(14)10(9)6-8/h4-6,15H,2-3,7H2,1H3/b13-11-
InChIKeyZXLHSUYLWQNTNY-QBFSEMIESA-N
MW203.24 g/mol
LogP2.21
Rot. Bonds2

About (2Z)-2-hydroxyimino-6-propyl-3H-inden-1-one

(2Z)-2-hydroxyimino-6-propyl-3H-inden-1-one (PubChem CID 19710247) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is (2Z)-2-hydroxyimino-6-propyl-3H-inden-1-one.

Molecular Properties

Compound Name(2Z)-2-hydroxyimino-6-propyl-3H-inden-1-one
PubChem CID19710247
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name(2Z)-2-hydroxyimino-6-propyl-3H-inden-1-one
SMILESCCCc1ccc2c(c1)C(=O)/C(=N\O)C2
InChIInChI=1S/C12H13NO2/c1-2-3-8-4-5-9-7-11(13-15)12(14)10(9)6-8/h4-6,15H,2-3,7H2,1H3/b13-11-
InChIKeyZXLHSUYLWQNTNY-QBFSEMIESA-N
XLogP2.21
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.21
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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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-hydroxyimino-6-propyl-3H-inden-1-one?
The IUPAC name of (2Z)-2-hydroxyimino-6-propyl-3H-inden-1-one (CID 19710247) is (2Z)-2-hydroxyimino-6-propyl-3H-inden-1-one.
What is the SMILES notation for (2Z)-2-hydroxyimino-6-propyl-3H-inden-1-one?
The canonical SMILES for (2Z)-2-hydroxyimino-6-propyl-3H-inden-1-one is CCCc1ccc2c(c1)C(=O)/C(=N\O)C2.
What is the InChIKey of (2Z)-2-hydroxyimino-6-propyl-3H-inden-1-one?
The InChIKey is ZXLHSUYLWQNTNY-QBFSEMIESA-N. The full InChI is InChI=1S/C12H13NO2/c1-2-3-8-4-5-9-7-11(13-15)12(14)10(9)6-8/h4-6,15H,2-3,7H2,1H3/b13-11-.
What are the key properties of (2Z)-2-hydroxyimino-6-propyl-3H-inden-1-one?
(2Z)-2-hydroxyimino-6-propyl-3H-inden-1-one has a molecular weight of 203.24 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-hydroxyimino-6-propyl-3H-inden-1-one is sourced from PubChem (CID 19710247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).