(1R)-2,2-dichloro-1-methyl-N-[(2S)-oxan-2-yl]oxycyclopropane-1-carboxamide

C10H15Cl2NO3 — CID 94820955

IUPAC(1R)-2,2-dichloro-1-methyl-N-[(2S)-oxan-2-yl]oxycyclopropane-1-carboxamide
SMILESC[C@]1(C(=O)NO[C@H]2CCCCO2)CC1(Cl)Cl
InChIInChI=1S/C10H15Cl2NO3/c1-9(6-10(9,11)12)8(14)13-16-7-4-2-3-5-15-7/h7H,2-6H2,1H3,(H,13,14)/t7-,9+/m0/s1
InChIKeyPBQOPVGRSYAELR-IONNQARKSA-N
MW268.14 g/mol
LogP2.14
Rot. Bonds3

About (1R)-2,2-dichloro-1-methyl-N-[(2S)-oxan-2-yl]oxycyclopropane-1-carboxamide

(1R)-2,2-dichloro-1-methyl-N-[(2S)-oxan-2-yl]oxycyclopropane-1-carboxamide (PubChem CID 94820955) has the molecular formula C10H15Cl2NO3 and a molecular weight of 268.14 g/mol. Its IUPAC name is (1R)-2,2-dichloro-1-methyl-N-[(2S)-oxan-2-yl]oxycyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1R)-2,2-dichloro-1-methyl-N-[(2S)-oxan-2-yl]oxycyclopropane-1-carboxamide
PubChem CID94820955
Molecular FormulaC10H15Cl2NO3
Molecular Weight268.14 g/mol
Exact Mass267.04
IUPAC Name(1R)-2,2-dichloro-1-methyl-N-[(2S)-oxan-2-yl]oxycyclopropane-1-carboxamide
SMILESC[C@]1(C(=O)NO[C@H]2CCCCO2)CC1(Cl)Cl
InChIInChI=1S/C10H15Cl2NO3/c1-9(6-10(9,11)12)8(14)13-16-7-4-2-3-5-15-7/h7H,2-6H2,1H3,(H,13,14)/t7-,9+/m0/s1
InChIKeyPBQOPVGRSYAELR-IONNQARKSA-N
XLogP2.14
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.14
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R)-2,2-dichloro-1-methyl-N-[(2S)-oxan-2-yl]oxycyclopropane-1-carboxamide?
The IUPAC name of (1R)-2,2-dichloro-1-methyl-N-[(2S)-oxan-2-yl]oxycyclopropane-1-carboxamide (CID 94820955) is (1R)-2,2-dichloro-1-methyl-N-[(2S)-oxan-2-yl]oxycyclopropane-1-carboxamide.
What is the SMILES notation for (1R)-2,2-dichloro-1-methyl-N-[(2S)-oxan-2-yl]oxycyclopropane-1-carboxamide?
The canonical SMILES for (1R)-2,2-dichloro-1-methyl-N-[(2S)-oxan-2-yl]oxycyclopropane-1-carboxamide is C[C@]1(C(=O)NO[C@H]2CCCCO2)CC1(Cl)Cl.
What is the InChIKey of (1R)-2,2-dichloro-1-methyl-N-[(2S)-oxan-2-yl]oxycyclopropane-1-carboxamide?
The InChIKey is PBQOPVGRSYAELR-IONNQARKSA-N. The full InChI is InChI=1S/C10H15Cl2NO3/c1-9(6-10(9,11)12)8(14)13-16-7-4-2-3-5-15-7/h7H,2-6H2,1H3,(H,13,14)/t7-,9+/m0/s1.
What are the key properties of (1R)-2,2-dichloro-1-methyl-N-[(2S)-oxan-2-yl]oxycyclopropane-1-carboxamide?
(1R)-2,2-dichloro-1-methyl-N-[(2S)-oxan-2-yl]oxycyclopropane-1-carboxamide has a molecular weight of 268.14 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2-dichloro-1-methyl-N-[(2S)-oxan-2-yl]oxycyclopropane-1-carboxamide is sourced from PubChem (CID 94820955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).