N-(1,3-benzodioxol-5-yl)-2-[(1S)-cyclopent-2-en-1-yl]acetamide

C14H15NO3 — CID 9037032

IUPACN-(1,3-benzodioxol-5-yl)-2-[(1S)-cyclopent-2-en-1-yl]acetamide
SMILESO=C(C[C@H]1C=CCC1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C14H15NO3/c16-14(7-10-3-1-2-4-10)15-11-5-6-12-13(8-11)18-9-17-12/h1,3,5-6,8,10H,2,4,7,9H2,(H,15,16)/t10-/m0/s1
InChIKeyLHFRLAPAYMLCNP-JTQLQIEISA-N
MW245.28 g/mol
LogP2.71
Rot. Bonds3

About N-(1,3-benzodioxol-5-yl)-2-[(1S)-cyclopent-2-en-1-yl]acetamide

N-(1,3-benzodioxol-5-yl)-2-[(1S)-cyclopent-2-en-1-yl]acetamide (PubChem CID 9037032) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-[(1S)-cyclopent-2-en-1-yl]acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-[(1S)-cyclopent-2-en-1-yl]acetamide
PubChem CID9037032
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-[(1S)-cyclopent-2-en-1-yl]acetamide
SMILESO=C(C[C@H]1C=CCC1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C14H15NO3/c16-14(7-10-3-1-2-4-10)15-11-5-6-12-13(8-11)18-9-17-12/h1,3,5-6,8,10H,2,4,7,9H2,(H,15,16)/t10-/m0/s1
InChIKeyLHFRLAPAYMLCNP-JTQLQIEISA-N
XLogP2.71
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1,3-benzodioxol-5-yl)-2-[(1R)-cyclopent-2-en-1-yl]acetamide
CID 9037034
2-cyclopent-2-en-1-yl-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide
CID 18204023
N'-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]-1,3-benzodioxole-5-carbohydrazide
CID 9273889
N'-[2-[(1S)-cyclopent-2-en-1-yl]acetyl]-1,3-benzodioxole-5-carbohydrazide
CID 9273888
N-(1,3-benzodioxol-5-yl)-2-cyclohexylacetamide
CID 1072428
N-(3-chloro-4-methylphenyl)-2-[(1R)-cyclopent-2-en-1-yl]acetamide
CID 9068457
N-[4-(1,3-benzodioxol-5-yloxy)cyclohexyl]-2-cyclopent-2-en-1-ylacetamide
CID 176500485
N-(4-acetamido-3-methylphenyl)-2-cyclopent-2-en-1-ylacetamide
CID 42945795
N-(1,3-benzodioxol-5-yl)-2-(oxan-2-yl)acetamide
CID 110426347
2-amino-N-(1,3-benzodioxol-5-yl)acetamide
CID 22690417
N-(1,3-benzodioxol-5-yl)-2-(cyclooctylamino)acetamide
CID 9265362
N-(1,3-benzodioxol-5-yl)-2-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 9042682

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[(1S)-cyclopent-2-en-1-yl]acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[(1S)-cyclopent-2-en-1-yl]acetamide (CID 9037032) is N-(1,3-benzodioxol-5-yl)-2-[(1S)-cyclopent-2-en-1-yl]acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-[(1S)-cyclopent-2-en-1-yl]acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-[(1S)-cyclopent-2-en-1-yl]acetamide is O=C(C[C@H]1C=CCC1)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-[(1S)-cyclopent-2-en-1-yl]acetamide?
The InChIKey is LHFRLAPAYMLCNP-JTQLQIEISA-N. The full InChI is InChI=1S/C14H15NO3/c16-14(7-10-3-1-2-4-10)15-11-5-6-12-13(8-11)18-9-17-12/h1,3,5-6,8,10H,2,4,7,9H2,(H,15,16)/t10-/m0/s1.
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-[(1S)-cyclopent-2-en-1-yl]acetamide?
N-(1,3-benzodioxol-5-yl)-2-[(1S)-cyclopent-2-en-1-yl]acetamide has a molecular weight of 245.28 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-[(1S)-cyclopent-2-en-1-yl]acetamide is sourced from PubChem (CID 9037032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).