1-methyl-N-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]pyrrole-2-carboxamide

C14H16N2O2 — CID 95274864

IUPAC1-methyl-N-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]pyrrole-2-carboxamide
SMILESCn1cccc1C(=O)N[C@@H]1CCCc2occc21
InChIInChI=1S/C14H16N2O2/c1-16-8-3-5-12(16)14(17)15-11-4-2-6-13-10(11)7-9-18-13/h3,5,7-9,11H,2,4,6H2,1H3,(H,15,17)/t11-/m1/s1
InChIKeyUYWOVXVJKMPZQJ-LLVKDONJSA-N
MW244.29 g/mol
LogP2.43
Rot. Bonds2

About 1-methyl-N-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]pyrrole-2-carboxamide

1-methyl-N-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]pyrrole-2-carboxamide (PubChem CID 95274864) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 1-methyl-N-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]pyrrole-2-carboxamide
PubChem CID95274864
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name1-methyl-N-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]pyrrole-2-carboxamide
SMILESCn1cccc1C(=O)N[C@@H]1CCCc2occc21
InChIInChI=1S/C14H16N2O2/c1-16-8-3-5-12(16)14(17)15-11-4-2-6-13-10(11)7-9-18-13/h3,5,7-9,11H,2,4,6H2,1H3,(H,15,17)/t11-/m1/s1
InChIKeyUYWOVXVJKMPZQJ-LLVKDONJSA-N
XLogP2.43
TPSA47.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]pyrrole-2-carboxamide?
The IUPAC name of 1-methyl-N-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]pyrrole-2-carboxamide (CID 95274864) is 1-methyl-N-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]pyrrole-2-carboxamide.
What is the SMILES notation for 1-methyl-N-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]pyrrole-2-carboxamide?
The canonical SMILES for 1-methyl-N-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]pyrrole-2-carboxamide is Cn1cccc1C(=O)N[C@@H]1CCCc2occc21.
What is the InChIKey of 1-methyl-N-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]pyrrole-2-carboxamide?
The InChIKey is UYWOVXVJKMPZQJ-LLVKDONJSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-16-8-3-5-12(16)14(17)15-11-4-2-6-13-10(11)7-9-18-13/h3,5,7-9,11H,2,4,6H2,1H3,(H,15,17)/t11-/m1/s1.
What are the key properties of 1-methyl-N-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]pyrrole-2-carboxamide?
1-methyl-N-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]pyrrole-2-carboxamide has a molecular weight of 244.29 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]pyrrole-2-carboxamide is sourced from PubChem (CID 95274864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).