1-[(2R)-oxolane-2-carbonyl]-2,3-dihydroisoindole-1-carboxamide

C14H16N2O3 — CID 129246804

IUPAC1-[(2R)-oxolane-2-carbonyl]-2,3-dihydroisoindole-1-carboxamide
SMILESNC(=O)C1(C(=O)[C@H]2CCCO2)NCc2ccccc21
InChIInChI=1S/C14H16N2O3/c15-13(18)14(12(17)11-6-3-7-19-11)10-5-2-1-4-9(10)8-16-14/h1-2,4-5,11,16H,3,6-8H2,(H2,15,18)/t11-,14?/m1/s1
InChIKeyTXQXLSHILNZFTI-YNODCEANSA-N
MW260.29 g/mol
LogP0.22
Rot. Bonds3

About 1-[(2R)-oxolane-2-carbonyl]-2,3-dihydroisoindole-1-carboxamide

1-[(2R)-oxolane-2-carbonyl]-2,3-dihydroisoindole-1-carboxamide (PubChem CID 129246804) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 1-[(2R)-oxolane-2-carbonyl]-2,3-dihydroisoindole-1-carboxamide.

Molecular Properties

Compound Name1-[(2R)-oxolane-2-carbonyl]-2,3-dihydroisoindole-1-carboxamide
PubChem CID129246804
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name1-[(2R)-oxolane-2-carbonyl]-2,3-dihydroisoindole-1-carboxamide
SMILESNC(=O)C1(C(=O)[C@H]2CCCO2)NCc2ccccc21
InChIInChI=1S/C14H16N2O3/c15-13(18)14(12(17)11-6-3-7-19-11)10-5-2-1-4-9(10)8-16-14/h1-2,4-5,11,16H,3,6-8H2,(H2,15,18)/t11-,14?/m1/s1
InChIKeyTXQXLSHILNZFTI-YNODCEANSA-N
XLogP0.22
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-[1-(trifluoromethyl)cyclopropanecarbonyl]-2,3-dihydroisoindole-1-carboxamide
CID 175935877
(2S)-N-[(1R)-1-(trifluoromethyl)-2,3-dihydroinden-1-yl]oxolane-2-carboxamide
CID 124885171
benzene;oxane-2-carboxamide
CID 159532576
methylcyclopentane;oxolane-2-carboxamide
CID 143309641
4-(oxolan-2-ylmethylamino)-1,3-dihydroisochromene-4-carboxamide
CID 107149776
[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 95898230
(3-methyl-2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)-(oxolan-2-yl)methanone
CID 107388687
1-hydroxy-2,3-dihydroisoindole-1-carboxylic acid
CID 178078073
N-phenyloxolane-2-carboxamide
CID 3453643
(3-amino-3,4-dihydro-2H-quinolin-1-yl)-[(2R)-oxolan-2-yl]methanone
CID 104856313
oxolan-2-yl(spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)methanone
CID 86284648
(2R)-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)oxolane-2-carboxamide
CID 104856418

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-oxolane-2-carbonyl]-2,3-dihydroisoindole-1-carboxamide?
The IUPAC name of 1-[(2R)-oxolane-2-carbonyl]-2,3-dihydroisoindole-1-carboxamide (CID 129246804) is 1-[(2R)-oxolane-2-carbonyl]-2,3-dihydroisoindole-1-carboxamide.
What is the SMILES notation for 1-[(2R)-oxolane-2-carbonyl]-2,3-dihydroisoindole-1-carboxamide?
The canonical SMILES for 1-[(2R)-oxolane-2-carbonyl]-2,3-dihydroisoindole-1-carboxamide is NC(=O)C1(C(=O)[C@H]2CCCO2)NCc2ccccc21.
What is the InChIKey of 1-[(2R)-oxolane-2-carbonyl]-2,3-dihydroisoindole-1-carboxamide?
The InChIKey is TXQXLSHILNZFTI-YNODCEANSA-N. The full InChI is InChI=1S/C14H16N2O3/c15-13(18)14(12(17)11-6-3-7-19-11)10-5-2-1-4-9(10)8-16-14/h1-2,4-5,11,16H,3,6-8H2,(H2,15,18)/t11-,14?/m1/s1.
What are the key properties of 1-[(2R)-oxolane-2-carbonyl]-2,3-dihydroisoindole-1-carboxamide?
1-[(2R)-oxolane-2-carbonyl]-2,3-dihydroisoindole-1-carboxamide has a molecular weight of 260.29 g/mol, XLogP of 0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-oxolane-2-carbonyl]-2,3-dihydroisoindole-1-carboxamide is sourced from PubChem (CID 129246804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).