(2S)-N-cyclopropyl-2,3-dihydro-1-benzofuran-2-carboxamide

C12H13NO2 — CID 9080199

IUPAC(2S)-N-cyclopropyl-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(NC1CC1)[C@@H]1Cc2ccccc2O1
InChIInChI=1S/C12H13NO2/c14-12(13-9-5-6-9)11-7-8-3-1-2-4-10(8)15-11/h1-4,9,11H,5-7H2,(H,13,14)/t11-/m0/s1
InChIKeyINJJPMVTXQLBKF-NSHDSACASA-N
MW203.24 g/mol
LogP1.27
Rot. Bonds2

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

(2S)-N-cyclopropyl-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 9080199) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is (2S)-N-cyclopropyl-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-cyclopropyl-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID9080199
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name(2S)-N-cyclopropyl-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(NC1CC1)[C@@H]1Cc2ccccc2O1
InChIInChI=1S/C12H13NO2/c14-12(13-9-5-6-9)11-7-8-3-1-2-4-10(8)15-11/h1-4,9,11H,5-7H2,(H,13,14)/t11-/m0/s1
InChIKeyINJJPMVTXQLBKF-NSHDSACASA-N
XLogP1.27
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopropyl-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of (2S)-N-cyclopropyl-2,3-dihydro-1-benzofuran-2-carboxamide (CID 9080199) is (2S)-N-cyclopropyl-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for (2S)-N-cyclopropyl-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for (2S)-N-cyclopropyl-2,3-dihydro-1-benzofuran-2-carboxamide is O=C(NC1CC1)[C@@H]1Cc2ccccc2O1.
What is the InChIKey of (2S)-N-cyclopropyl-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is INJJPMVTXQLBKF-NSHDSACASA-N. The full InChI is InChI=1S/C12H13NO2/c14-12(13-9-5-6-9)11-7-8-3-1-2-4-10(8)15-11/h1-4,9,11H,5-7H2,(H,13,14)/t11-/m0/s1.
What are the key properties of (2S)-N-cyclopropyl-2,3-dihydro-1-benzofuran-2-carboxamide?
(2S)-N-cyclopropyl-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 203.24 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclopropyl-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 9080199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).