N-[(1R)-1-iodoethyl]-5-oxooxolane-2-carboxamide

C7H10INO3 — CID 153078842

IUPACN-[(1R)-1-iodoethyl]-5-oxooxolane-2-carboxamide
SMILESC[C@@H](I)NC(=O)C1CCC(=O)O1
InChIInChI=1S/C7H10INO3/c1-4(8)9-7(11)5-2-3-6(10)12-5/h4-5H,2-3H2,1H3,(H,9,11)/t4-,5?/m0/s1
InChIKeyVMWAAXHXRDPAJM-ROLXFIACSA-N
MW283.06 g/mol
LogP0.59
Rot. Bonds2

About N-[(1R)-1-iodoethyl]-5-oxooxolane-2-carboxamide

N-[(1R)-1-iodoethyl]-5-oxooxolane-2-carboxamide (PubChem CID 153078842) has the molecular formula C7H10INO3 and a molecular weight of 283.06 g/mol. Its IUPAC name is N-[(1R)-1-iodoethyl]-5-oxooxolane-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-iodoethyl]-5-oxooxolane-2-carboxamide
PubChem CID153078842
Molecular FormulaC7H10INO3
Molecular Weight283.06 g/mol
Exact Mass282.97
IUPAC NameN-[(1R)-1-iodoethyl]-5-oxooxolane-2-carboxamide
SMILESC[C@@H](I)NC(=O)C1CCC(=O)O1
InChIInChI=1S/C7H10INO3/c1-4(8)9-7(11)5-2-3-6(10)12-5/h4-5H,2-3H2,1H3,(H,9,11)/t4-,5?/m0/s1
InChIKeyVMWAAXHXRDPAJM-ROLXFIACSA-N
XLogP0.59
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.06
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-iodoethyl]-5-oxooxolane-2-carboxamide?
The IUPAC name of N-[(1R)-1-iodoethyl]-5-oxooxolane-2-carboxamide (CID 153078842) is N-[(1R)-1-iodoethyl]-5-oxooxolane-2-carboxamide.
What is the SMILES notation for N-[(1R)-1-iodoethyl]-5-oxooxolane-2-carboxamide?
The canonical SMILES for N-[(1R)-1-iodoethyl]-5-oxooxolane-2-carboxamide is C[C@@H](I)NC(=O)C1CCC(=O)O1.
What is the InChIKey of N-[(1R)-1-iodoethyl]-5-oxooxolane-2-carboxamide?
The InChIKey is VMWAAXHXRDPAJM-ROLXFIACSA-N. The full InChI is InChI=1S/C7H10INO3/c1-4(8)9-7(11)5-2-3-6(10)12-5/h4-5H,2-3H2,1H3,(H,9,11)/t4-,5?/m0/s1.
What are the key properties of N-[(1R)-1-iodoethyl]-5-oxooxolane-2-carboxamide?
N-[(1R)-1-iodoethyl]-5-oxooxolane-2-carboxamide has a molecular weight of 283.06 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-iodoethyl]-5-oxooxolane-2-carboxamide is sourced from PubChem (CID 153078842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).