N-(1-ethyl-3-oxo-1,2-dihydroinden-2-yl)formamide

C12H13NO2 — CID 121007382

IUPACN-(1-ethyl-3-oxo-1,2-dihydroinden-2-yl)formamide
SMILESCCC1c2ccccc2C(=O)C1NC=O
InChIInChI=1S/C12H13NO2/c1-2-8-9-5-3-4-6-10(9)12(15)11(8)13-7-14/h3-8,11H,2H2,1H3,(H,13,14)
InChIKeyIEQFAZGZSBHJGO-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.49
Rot. Bonds3

About N-(1-ethyl-3-oxo-1,2-dihydroinden-2-yl)formamide

N-(1-ethyl-3-oxo-1,2-dihydroinden-2-yl)formamide (PubChem CID 121007382) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is N-(1-ethyl-3-oxo-1,2-dihydroinden-2-yl)formamide.

Molecular Properties

Compound NameN-(1-ethyl-3-oxo-1,2-dihydroinden-2-yl)formamide
PubChem CID121007382
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC NameN-(1-ethyl-3-oxo-1,2-dihydroinden-2-yl)formamide
SMILESCCC1c2ccccc2C(=O)C1NC=O
InChIInChI=1S/C12H13NO2/c1-2-8-9-5-3-4-6-10(9)12(15)11(8)13-7-14/h3-8,11H,2H2,1H3,(H,13,14)
InChIKeyIEQFAZGZSBHJGO-UHFFFAOYSA-N
XLogP1.49
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-3-oxo-1,2-dihydroinden-2-yl)formamide?
The IUPAC name of N-(1-ethyl-3-oxo-1,2-dihydroinden-2-yl)formamide (CID 121007382) is N-(1-ethyl-3-oxo-1,2-dihydroinden-2-yl)formamide.
What is the SMILES notation for N-(1-ethyl-3-oxo-1,2-dihydroinden-2-yl)formamide?
The canonical SMILES for N-(1-ethyl-3-oxo-1,2-dihydroinden-2-yl)formamide is CCC1c2ccccc2C(=O)C1NC=O.
What is the InChIKey of N-(1-ethyl-3-oxo-1,2-dihydroinden-2-yl)formamide?
The InChIKey is IEQFAZGZSBHJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-2-8-9-5-3-4-6-10(9)12(15)11(8)13-7-14/h3-8,11H,2H2,1H3,(H,13,14).
What are the key properties of N-(1-ethyl-3-oxo-1,2-dihydroinden-2-yl)formamide?
N-(1-ethyl-3-oxo-1,2-dihydroinden-2-yl)formamide has a molecular weight of 203.24 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-3-oxo-1,2-dihydroinden-2-yl)formamide is sourced from PubChem (CID 121007382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).