N-(2H-isoindol-5-yl)prop-2-enamide

C11H10N2O — CID 164518553

IUPACN-(2H-isoindol-5-yl)prop-2-enamide
SMILESC=CC(=O)Nc1ccc2c[nH]cc2c1
InChIInChI=1S/C11H10N2O/c1-2-11(14)13-10-4-3-8-6-12-7-9(8)5-10/h2-7,12H,1H2,(H,13,14)
InChIKeyADWDCWUXSOWBLO-UHFFFAOYSA-N
MW186.21 g/mol
LogP2.29
Rot. Bonds2

About N-(2H-isoindol-5-yl)prop-2-enamide

N-(2H-isoindol-5-yl)prop-2-enamide (PubChem CID 164518553) has the molecular formula C11H10N2O and a molecular weight of 186.21 g/mol. Its IUPAC name is N-(2H-isoindol-5-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(2H-isoindol-5-yl)prop-2-enamide
PubChem CID164518553
Molecular FormulaC11H10N2O
Molecular Weight186.21 g/mol
Exact Mass186.08
IUPAC NameN-(2H-isoindol-5-yl)prop-2-enamide
SMILESC=CC(=O)Nc1ccc2c[nH]cc2c1
InChIInChI=1S/C11H10N2O/c1-2-11(14)13-10-4-3-8-6-12-7-9(8)5-10/h2-7,12H,1H2,(H,13,14)
InChIKeyADWDCWUXSOWBLO-UHFFFAOYSA-N
XLogP2.29
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2H-isoindol-5-yl)prop-2-enamide?
The IUPAC name of N-(2H-isoindol-5-yl)prop-2-enamide (CID 164518553) is N-(2H-isoindol-5-yl)prop-2-enamide.
What is the SMILES notation for N-(2H-isoindol-5-yl)prop-2-enamide?
The canonical SMILES for N-(2H-isoindol-5-yl)prop-2-enamide is C=CC(=O)Nc1ccc2c[nH]cc2c1.
What is the InChIKey of N-(2H-isoindol-5-yl)prop-2-enamide?
The InChIKey is ADWDCWUXSOWBLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O/c1-2-11(14)13-10-4-3-8-6-12-7-9(8)5-10/h2-7,12H,1H2,(H,13,14).
What are the key properties of N-(2H-isoindol-5-yl)prop-2-enamide?
N-(2H-isoindol-5-yl)prop-2-enamide has a molecular weight of 186.21 g/mol, XLogP of 2.29, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2H-isoindol-5-yl)prop-2-enamide is sourced from PubChem (CID 164518553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).