N-(2,3-dihydro-1-benzofuran-2-ylmethyl)prop-2-enamide

C12H13NO2 — CID 61003696

IUPACN-(2,3-dihydro-1-benzofuran-2-ylmethyl)prop-2-enamide
SMILESC=CC(=O)NCC1Cc2ccccc2O1
InChIInChI=1S/C12H13NO2/c1-2-12(14)13-8-10-7-9-5-3-4-6-11(9)15-10/h2-6,10H,1,7-8H2,(H,13,14)
InChIKeyCZXZQFHMNIGGBJ-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.29
Rot. Bonds3

About N-(2,3-dihydro-1-benzofuran-2-ylmethyl)prop-2-enamide

N-(2,3-dihydro-1-benzofuran-2-ylmethyl)prop-2-enamide (PubChem CID 61003696) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-2-ylmethyl)prop-2-enamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-2-ylmethyl)prop-2-enamide
PubChem CID61003696
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC NameN-(2,3-dihydro-1-benzofuran-2-ylmethyl)prop-2-enamide
SMILESC=CC(=O)NCC1Cc2ccccc2O1
InChIInChI=1S/C12H13NO2/c1-2-12(14)13-8-10-7-9-5-3-4-6-11(9)15-10/h2-6,10H,1,7-8H2,(H,13,14)
InChIKeyCZXZQFHMNIGGBJ-UHFFFAOYSA-N
XLogP1.29
TPSA38.33 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 ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-(prop-2-enylamino)acetamide
CID 79279793
3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-3-oxopropanoic acid
CID 62229922
N-[[(2S)-5-phenoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]prop-2-enamide
CID 92757118
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-hydroxypentanamide
CID 79210222
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3,3-diphenylpropanamide
CID 55613114
4-(2,3-dihydro-1-benzofuran-2-ylmethylcarbamoylamino)-4-oxobut-2-enoic acid
CID 76937693
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-hydroxypentanamide
CID 79192348
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,2-diphenylacetamide
CID 71897392
1-amino-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)cyclobutane-1-carboxamide
CID 81172657
(2R)-2-amino-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methylbutanamide
CID 79012981
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78924277
5-amino-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-methylpentanamide
CID 82012136

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)prop-2-enamide?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)prop-2-enamide (CID 61003696) is N-(2,3-dihydro-1-benzofuran-2-ylmethyl)prop-2-enamide.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)prop-2-enamide?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)prop-2-enamide is C=CC(=O)NCC1Cc2ccccc2O1.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)prop-2-enamide?
The InChIKey is CZXZQFHMNIGGBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-2-12(14)13-8-10-7-9-5-3-4-6-11(9)15-10/h2-6,10H,1,7-8H2,(H,13,14).
What are the key properties of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)prop-2-enamide?
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)prop-2-enamide has a molecular weight of 203.24 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)prop-2-enamide is sourced from PubChem (CID 61003696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).