N-(cyanomethyl)-2,3-dihydro-1-benzofuran-2-carboxamide

C11H10N2O2 — CID 60896123

IUPACN-(cyanomethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESN#CCNC(=O)C1Cc2ccccc2O1
InChIInChI=1S/C11H10N2O2/c12-5-6-13-11(14)10-7-8-3-1-2-4-9(8)15-10/h1-4,10H,6-7H2,(H,13,14)
InChIKeyPJFRSBWENWKNKU-UHFFFAOYSA-N
MW202.21 g/mol
LogP0.63
Rot. Bonds2

About N-(cyanomethyl)-2,3-dihydro-1-benzofuran-2-carboxamide

N-(cyanomethyl)-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 60896123) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is N-(cyanomethyl)-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(cyanomethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID60896123
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC NameN-(cyanomethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESN#CCNC(=O)C1Cc2ccccc2O1
InChIInChI=1S/C11H10N2O2/c12-5-6-13-11(14)10-7-8-3-1-2-4-9(8)15-10/h1-4,10H,6-7H2,(H,13,14)
InChIKeyPJFRSBWENWKNKU-UHFFFAOYSA-N
XLogP0.63
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(dimethylamino)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 110698814
N-(2-bromoethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 43133406
N-[2-(ethylamino)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride
CID 119507846
N-(3-amino-2,2-dimethylpropyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 113295190
N-(2-cyanobutan-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 61120374
N-(3-bromopropyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 43133562
N-(4-chloro-2,2-dimethylbutyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 114149349
N-(2-amino-4-methylpentyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 107158766
N-(3-methylbutan-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 47127876
N-[(2,6-difluorophenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 112522518
N-(furan-2-ylmethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 16649113
N-[(1-phenylcyclopropyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 42938379

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of N-(cyanomethyl)-2,3-dihydro-1-benzofuran-2-carboxamide (CID 60896123) is N-(cyanomethyl)-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(cyanomethyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(cyanomethyl)-2,3-dihydro-1-benzofuran-2-carboxamide is N#CCNC(=O)C1Cc2ccccc2O1.
What is the InChIKey of N-(cyanomethyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is PJFRSBWENWKNKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c12-5-6-13-11(14)10-7-8-3-1-2-4-9(8)15-10/h1-4,10H,6-7H2,(H,13,14).
What are the key properties of N-(cyanomethyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
N-(cyanomethyl)-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 202.21 g/mol, XLogP of 0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 60896123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).