N-(cyanomethyl)-N-cyclopropyl-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide

C18H18N2O2 — CID 47795985

IUPACN-(cyanomethyl)-N-cyclopropyl-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide
SMILESN#CCN(C(=O)Cc1coc2cc3c(cc12)CCC3)C1CC1
InChIInChI=1S/C18H18N2O2/c19-6-7-20(15-4-5-15)18(21)10-14-11-22-17-9-13-3-1-2-12(13)8-16(14)17/h8-9,11,15H,1-5,7,10H2
InChIKeySXMXTFRBLWHELH-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.98
Rot. Bonds4

About N-(cyanomethyl)-N-cyclopropyl-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide

N-(cyanomethyl)-N-cyclopropyl-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide (PubChem CID 47795985) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-(cyanomethyl)-N-cyclopropyl-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide.

Molecular Properties

Compound NameN-(cyanomethyl)-N-cyclopropyl-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide
PubChem CID47795985
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC NameN-(cyanomethyl)-N-cyclopropyl-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide
SMILESN#CCN(C(=O)Cc1coc2cc3c(cc12)CCC3)C1CC1
InChIInChI=1S/C18H18N2O2/c19-6-7-20(15-4-5-15)18(21)10-14-11-22-17-9-13-3-1-2-12(13)8-16(14)17/h8-9,11,15H,1-5,7,10H2
InChIKeySXMXTFRBLWHELH-UHFFFAOYSA-N
XLogP2.98
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-N-cyclopropyl-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide?
The IUPAC name of N-(cyanomethyl)-N-cyclopropyl-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide (CID 47795985) is N-(cyanomethyl)-N-cyclopropyl-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide.
What is the SMILES notation for N-(cyanomethyl)-N-cyclopropyl-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide?
The canonical SMILES for N-(cyanomethyl)-N-cyclopropyl-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide is N#CCN(C(=O)Cc1coc2cc3c(cc12)CCC3)C1CC1.
What is the InChIKey of N-(cyanomethyl)-N-cyclopropyl-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide?
The InChIKey is SXMXTFRBLWHELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c19-6-7-20(15-4-5-15)18(21)10-14-11-22-17-9-13-3-1-2-12(13)8-16(14)17/h8-9,11,15H,1-5,7,10H2.
What are the key properties of N-(cyanomethyl)-N-cyclopropyl-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide?
N-(cyanomethyl)-N-cyclopropyl-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide has a molecular weight of 294.35 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-N-cyclopropyl-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide is sourced from PubChem (CID 47795985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).