trans-(1R,2R)-2-methyl-N-(oxolan-3-yloxy)cyclopropane-1-carboxamide

C9H15NO3 — CID 130673406

IUPACtrans-(1R,2R)-2-methyl-N-(oxolan-3-yloxy)cyclopropane-1-carboxamide
SMILESC[C@@H]1C[C@H]1C(=O)NOC1CCOC1
InChIInChI=1S/C9H15NO3/c1-6-4-8(6)9(11)10-13-7-2-3-12-5-7/h6-8H,2-5H2,1H3,(H,10,11)/t6-,7?,8-/m1/s1
InChIKeyFQLDFBVVSMXYKM-OECOWPMFSA-N
MW185.22 g/mol
LogP0.48
Rot. Bonds3

About trans-(1R,2R)-2-methyl-N-(oxolan-3-yloxy)cyclopropane-1-carboxamide

trans-(1R,2R)-2-methyl-N-(oxolan-3-yloxy)cyclopropane-1-carboxamide (PubChem CID 130673406) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is trans-(1R,2R)-2-methyl-N-(oxolan-3-yloxy)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-2-methyl-N-(oxolan-3-yloxy)cyclopropane-1-carboxamide
PubChem CID130673406
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Nametrans-(1R,2R)-2-methyl-N-(oxolan-3-yloxy)cyclopropane-1-carboxamide
SMILESC[C@@H]1C[C@H]1C(=O)NOC1CCOC1
InChIInChI=1S/C9H15NO3/c1-6-4-8(6)9(11)10-13-7-2-3-12-5-7/h6-8H,2-5H2,1H3,(H,10,11)/t6-,7?,8-/m1/s1
InChIKeyFQLDFBVVSMXYKM-OECOWPMFSA-N
XLogP0.48
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclobutyloxy-2-methylcyclopropane-1-carboxamide
CID 130676328
1-methyl-N-(oxolan-3-yloxy)cyclopropane-1-carboxamide
CID 130747191
(2S)-1-(cyclopropanecarbonyl)-N-(oxolan-3-yloxy)pyrrolidine-2-carboxamide
CID 154865192
8-amino-N-(oxolan-3-yloxy)octanamide
CID 89167613
trans-(1S,2S)-2-methyl-N-[(3S)-oxan-3-yl]cyclopropane-1-carboxamide
CID 131113536
methyl (2R)-2-(oxolan-3-yloxy)propanoate
CID 103338002
N-(oxolan-3-yloxy)-1-phenylpyrrolidine-2-carboxamide
CID 154863408
trans-oxetan-3-yl (1S,2S)-2-methylcyclopropane-1-carboxylate
CID 130734937
[(3S)-oxolan-3-yl] (2S)-2-bromopropanoate
CID 11470107
[(3S)-oxolan-3-yl] 2-(phosphanylamino)propanoate
CID 175404027
[(3R)-oxolan-3-yl] hydrogen carbonate
CID 67122885
[(3R)-oxolan-3-yl] 2-amino-2-methylpropanoate
CID 171836010

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-methyl-N-(oxolan-3-yloxy)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-2-methyl-N-(oxolan-3-yloxy)cyclopropane-1-carboxamide (CID 130673406) is trans-(1R,2R)-2-methyl-N-(oxolan-3-yloxy)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-2-methyl-N-(oxolan-3-yloxy)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-2-methyl-N-(oxolan-3-yloxy)cyclopropane-1-carboxamide is C[C@@H]1C[C@H]1C(=O)NOC1CCOC1.
What is the InChIKey of trans-(1R,2R)-2-methyl-N-(oxolan-3-yloxy)cyclopropane-1-carboxamide?
The InChIKey is FQLDFBVVSMXYKM-OECOWPMFSA-N. The full InChI is InChI=1S/C9H15NO3/c1-6-4-8(6)9(11)10-13-7-2-3-12-5-7/h6-8H,2-5H2,1H3,(H,10,11)/t6-,7?,8-/m1/s1.
What are the key properties of trans-(1R,2R)-2-methyl-N-(oxolan-3-yloxy)cyclopropane-1-carboxamide?
trans-(1R,2R)-2-methyl-N-(oxolan-3-yloxy)cyclopropane-1-carboxamide has a molecular weight of 185.22 g/mol, XLogP of 0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-methyl-N-(oxolan-3-yloxy)cyclopropane-1-carboxamide is sourced from PubChem (CID 130673406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).