N-(2,3-dihydro-1H-inden-1-yl)-N-methylbut-2-enamide

C14H17NO — CID 112725238

IUPACN-(2,3-dihydro-1H-inden-1-yl)-N-methylbut-2-enamide
SMILESCC=CC(=O)N(C)C1CCc2ccccc21
InChIInChI=1S/C14H17NO/c1-3-6-14(16)15(2)13-10-9-11-7-4-5-8-12(11)13/h3-8,13H,9-10H2,1-2H3
InChIKeyLJEINACYRRWGDV-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.71
Rot. Bonds2

About N-(2,3-dihydro-1H-inden-1-yl)-N-methylbut-2-enamide

N-(2,3-dihydro-1H-inden-1-yl)-N-methylbut-2-enamide (PubChem CID 112725238) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-1-yl)-N-methylbut-2-enamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-1-yl)-N-methylbut-2-enamide
PubChem CID112725238
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC NameN-(2,3-dihydro-1H-inden-1-yl)-N-methylbut-2-enamide
SMILESCC=CC(=O)N(C)C1CCc2ccccc21
InChIInChI=1S/C14H17NO/c1-3-6-14(16)15(2)13-10-9-11-7-4-5-8-12(11)13/h3-8,13H,9-10H2,1-2H3
InChIKeyLJEINACYRRWGDV-UHFFFAOYSA-N
XLogP2.71
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.71
H-Bond Donors ≤ 50
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-(2,3-dihydro-1H-inden-1-yl)-N-methylbut-2-enamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-N-methylbut-2-enamide (CID 112725238) is N-(2,3-dihydro-1H-inden-1-yl)-N-methylbut-2-enamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-1-yl)-N-methylbut-2-enamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-1-yl)-N-methylbut-2-enamide is CC=CC(=O)N(C)C1CCc2ccccc21.
What is the InChIKey of N-(2,3-dihydro-1H-inden-1-yl)-N-methylbut-2-enamide?
The InChIKey is LJEINACYRRWGDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-3-6-14(16)15(2)13-10-9-11-7-4-5-8-12(11)13/h3-8,13H,9-10H2,1-2H3.
What are the key properties of N-(2,3-dihydro-1H-inden-1-yl)-N-methylbut-2-enamide?
N-(2,3-dihydro-1H-inden-1-yl)-N-methylbut-2-enamide has a molecular weight of 215.30 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-1-yl)-N-methylbut-2-enamide is sourced from PubChem (CID 112725238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).