2-[(1R)-cyclopent-2-en-1-yl]-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide

C16H19NO2 — CID 39236349

IUPAC2-[(1R)-cyclopent-2-en-1-yl]-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide
SMILESO=C(C[C@@H]1C=CCC1)NC[C@@H]1Cc2ccccc2O1
InChIInChI=1S/C16H19NO2/c18-16(9-12-5-1-2-6-12)17-11-14-10-13-7-3-4-8-15(13)19-14/h1,3-5,7-8,12,14H,2,6,9-11H2,(H,17,18)/t12-,14+/m1/s1
InChIKeyJUOMJOOLODHELB-OCCSQVGLSA-N
MW257.33 g/mol
LogP2.46
Rot. Bonds4

About 2-[(1R)-cyclopent-2-en-1-yl]-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide

2-[(1R)-cyclopent-2-en-1-yl]-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide (PubChem CID 39236349) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-[(1R)-cyclopent-2-en-1-yl]-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-[(1R)-cyclopent-2-en-1-yl]-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide
PubChem CID39236349
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name2-[(1R)-cyclopent-2-en-1-yl]-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide
SMILESO=C(C[C@@H]1C=CCC1)NC[C@@H]1Cc2ccccc2O1
InChIInChI=1S/C16H19NO2/c18-16(9-12-5-1-2-6-12)17-11-14-10-13-7-3-4-8-15(13)19-14/h1,3-5,7-8,12,14H,2,6,9-11H2,(H,17,18)/t12-,14+/m1/s1
InChIKeyJUOMJOOLODHELB-OCCSQVGLSA-N
XLogP2.46
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-3-oxopropanoic acid
CID 62229922
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3,3-diphenylpropanamide
CID 55613114
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)prop-2-enamide
CID 61003696
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-hydroxypentanamide
CID 79192348
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-hydroxypentanamide
CID 79210222
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-(prop-2-enylamino)acetamide
CID 79279793
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78924277
1-amino-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)cyclobutane-1-carboxamide
CID 81172657
5-amino-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-methylpentanamide
CID 82012136
2-(1-aminocyclopentyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)acetamide
CID 64676743
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-(1H-indol-3-yl)acetamide
CID 47026499
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,2-diphenylacetamide
CID 71897392

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-cyclopent-2-en-1-yl]-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide?
The IUPAC name of 2-[(1R)-cyclopent-2-en-1-yl]-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide (CID 39236349) is 2-[(1R)-cyclopent-2-en-1-yl]-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide.
What is the SMILES notation for 2-[(1R)-cyclopent-2-en-1-yl]-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide?
The canonical SMILES for 2-[(1R)-cyclopent-2-en-1-yl]-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide is O=C(C[C@@H]1C=CCC1)NC[C@@H]1Cc2ccccc2O1.
What is the InChIKey of 2-[(1R)-cyclopent-2-en-1-yl]-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide?
The InChIKey is JUOMJOOLODHELB-OCCSQVGLSA-N. The full InChI is InChI=1S/C16H19NO2/c18-16(9-12-5-1-2-6-12)17-11-14-10-13-7-3-4-8-15(13)19-14/h1,3-5,7-8,12,14H,2,6,9-11H2,(H,17,18)/t12-,14+/m1/s1.
What are the key properties of 2-[(1R)-cyclopent-2-en-1-yl]-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide?
2-[(1R)-cyclopent-2-en-1-yl]-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide has a molecular weight of 257.33 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-cyclopent-2-en-1-yl]-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide is sourced from PubChem (CID 39236349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).