(2Z)-2-propan-2-yloxyimino-1,3-dihydroinden-1-amine

C12H16N2O — CID 58684880

IUPAC(2Z)-2-propan-2-yloxyimino-1,3-dihydroinden-1-amine
SMILESCC(C)O/N=C1/Cc2ccccc2C1N
InChIInChI=1S/C12H16N2O/c1-8(2)15-14-11-7-9-5-3-4-6-10(9)12(11)13/h3-6,8,12H,7,13H2,1-2H3/b14-11-
InChIKeyMBBWRLMXTZGDLQ-KAMYIIQDSA-N
MW204.27 g/mol
LogP2.02
Rot. Bonds2

About (2Z)-2-propan-2-yloxyimino-1,3-dihydroinden-1-amine

(2Z)-2-propan-2-yloxyimino-1,3-dihydroinden-1-amine (PubChem CID 58684880) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is (2Z)-2-propan-2-yloxyimino-1,3-dihydroinden-1-amine.

Molecular Properties

Compound Name(2Z)-2-propan-2-yloxyimino-1,3-dihydroinden-1-amine
PubChem CID58684880
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name(2Z)-2-propan-2-yloxyimino-1,3-dihydroinden-1-amine
SMILESCC(C)O/N=C1/Cc2ccccc2C1N
InChIInChI=1S/C12H16N2O/c1-8(2)15-14-11-7-9-5-3-4-6-10(9)12(11)13/h3-6,8,12H,7,13H2,1-2H3/b14-11-
InChIKeyMBBWRLMXTZGDLQ-KAMYIIQDSA-N
XLogP2.02
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_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-propan-2-yloxyimino-1,3-dihydroinden-1-amine?
The IUPAC name of (2Z)-2-propan-2-yloxyimino-1,3-dihydroinden-1-amine (CID 58684880) is (2Z)-2-propan-2-yloxyimino-1,3-dihydroinden-1-amine.
What is the SMILES notation for (2Z)-2-propan-2-yloxyimino-1,3-dihydroinden-1-amine?
The canonical SMILES for (2Z)-2-propan-2-yloxyimino-1,3-dihydroinden-1-amine is CC(C)O/N=C1/Cc2ccccc2C1N.
What is the InChIKey of (2Z)-2-propan-2-yloxyimino-1,3-dihydroinden-1-amine?
The InChIKey is MBBWRLMXTZGDLQ-KAMYIIQDSA-N. The full InChI is InChI=1S/C12H16N2O/c1-8(2)15-14-11-7-9-5-3-4-6-10(9)12(11)13/h3-6,8,12H,7,13H2,1-2H3/b14-11-.
What are the key properties of (2Z)-2-propan-2-yloxyimino-1,3-dihydroinden-1-amine?
(2Z)-2-propan-2-yloxyimino-1,3-dihydroinden-1-amine has a molecular weight of 204.27 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-propan-2-yloxyimino-1,3-dihydroinden-1-amine is sourced from PubChem (CID 58684880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).