N-cyclopropyl-3-methyl-1-benzofuran-2-carboxamide

C13H13NO2 — CID 9079958

IUPACN-cyclopropyl-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NC2CC2)oc2ccccc12
InChIInChI=1S/C13H13NO2/c1-8-10-4-2-3-5-11(10)16-12(8)13(15)14-9-6-7-9/h2-5,9H,6-7H2,1H3,(H,14,15)
InChIKeyNVXPTNFSVCNLBO-UHFFFAOYSA-N
MW215.25 g/mol
LogP2.63
Rot. Bonds2

About N-cyclopropyl-3-methyl-1-benzofuran-2-carboxamide

N-cyclopropyl-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 9079958) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is N-cyclopropyl-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-3-methyl-1-benzofuran-2-carboxamide
PubChem CID9079958
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC NameN-cyclopropyl-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NC2CC2)oc2ccccc12
InChIInChI=1S/C13H13NO2/c1-8-10-4-2-3-5-11(10)16-12(8)13(15)14-9-6-7-9/h2-5,9H,6-7H2,1H3,(H,14,15)
InChIKeyNVXPTNFSVCNLBO-UHFFFAOYSA-N
XLogP2.63
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-cyclopropyl-3-methyl-1-benzofuran-2-carboxamide (CID 9079958) is N-cyclopropyl-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-cyclopropyl-3-methyl-1-benzofuran-2-carboxamide is Cc1c(C(=O)NC2CC2)oc2ccccc12.
What is the InChIKey of N-cyclopropyl-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is NVXPTNFSVCNLBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c1-8-10-4-2-3-5-11(10)16-12(8)13(15)14-9-6-7-9/h2-5,9H,6-7H2,1H3,(H,14,15).
What are the key properties of N-cyclopropyl-3-methyl-1-benzofuran-2-carboxamide?
N-cyclopropyl-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 215.25 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 9079958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).