3-formyl-1-(2-methoxyethoxy)-2,2-dimethylcyclopropane-1-carboxamide

C10H17NO4 — CID 54229356

IUPAC3-formyl-1-(2-methoxyethoxy)-2,2-dimethylcyclopropane-1-carboxamide
SMILESCOCCOC1(C(N)=O)C(C=O)C1(C)C
InChIInChI=1S/C10H17NO4/c1-9(2)7(6-12)10(9,8(11)13)15-5-4-14-3/h6-7H,4-5H2,1-3H3,(H2,11,13)
InChIKeyQUJBXDJLTHNTRL-UHFFFAOYSA-N
MW215.25 g/mol
LogP-0.27
Rot. Bonds6

About 3-formyl-1-(2-methoxyethoxy)-2,2-dimethylcyclopropane-1-carboxamide

3-formyl-1-(2-methoxyethoxy)-2,2-dimethylcyclopropane-1-carboxamide (PubChem CID 54229356) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is 3-formyl-1-(2-methoxyethoxy)-2,2-dimethylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name3-formyl-1-(2-methoxyethoxy)-2,2-dimethylcyclopropane-1-carboxamide
PubChem CID54229356
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name3-formyl-1-(2-methoxyethoxy)-2,2-dimethylcyclopropane-1-carboxamide
SMILESCOCCOC1(C(N)=O)C(C=O)C1(C)C
InChIInChI=1S/C10H17NO4/c1-9(2)7(6-12)10(9,8(11)13)15-5-4-14-3/h6-7H,4-5H2,1-3H3,(H2,11,13)
InChIKeyQUJBXDJLTHNTRL-UHFFFAOYSA-N
XLogP-0.27
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-methoxypropyl 3-formyl-2,2-dimethylcyclopropane-1-carboxylate
CID 87095939
trans-methoxymethyl (1R,3S)-3-formyl-2,2-dimethylcyclopropane-1-carboxylate
CID 13272137
4-methoxybutanamide
CID 22414177
2-(2-methoxyethoxy)butanamide
CID 62900293
2-[3-chloro-6-fluoro-6-(2-methoxyethoxy)cyclohexa-2,4-dien-1-yl]acetamide
CID 175308251
4-methoxybutanamide;hydrochloride
CID 141117964
2-methoxyethyl 2-(2-methoxyethylamino)acetate
CID 79271319
2-(2-methoxyethyl)propanediamide
CID 143013500
disodium;1,2-dimethoxyethane;carbonate
CID 86669059
1,2-dimethoxyethane;ethane
CID 91349162
1,2-dimethoxyethane;samarium
CID 174304250
2-methoxyethyl (Z)-2,5-dimethylhex-3-enoate
CID 88559833

Frequently Asked Questions

What is the IUPAC name of 3-formyl-1-(2-methoxyethoxy)-2,2-dimethylcyclopropane-1-carboxamide?
The IUPAC name of 3-formyl-1-(2-methoxyethoxy)-2,2-dimethylcyclopropane-1-carboxamide (CID 54229356) is 3-formyl-1-(2-methoxyethoxy)-2,2-dimethylcyclopropane-1-carboxamide.
What is the SMILES notation for 3-formyl-1-(2-methoxyethoxy)-2,2-dimethylcyclopropane-1-carboxamide?
The canonical SMILES for 3-formyl-1-(2-methoxyethoxy)-2,2-dimethylcyclopropane-1-carboxamide is COCCOC1(C(N)=O)C(C=O)C1(C)C.
What is the InChIKey of 3-formyl-1-(2-methoxyethoxy)-2,2-dimethylcyclopropane-1-carboxamide?
The InChIKey is QUJBXDJLTHNTRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-9(2)7(6-12)10(9,8(11)13)15-5-4-14-3/h6-7H,4-5H2,1-3H3,(H2,11,13).
What are the key properties of 3-formyl-1-(2-methoxyethoxy)-2,2-dimethylcyclopropane-1-carboxamide?
3-formyl-1-(2-methoxyethoxy)-2,2-dimethylcyclopropane-1-carboxamide has a molecular weight of 215.25 g/mol, XLogP of -0.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-formyl-1-(2-methoxyethoxy)-2,2-dimethylcyclopropane-1-carboxamide is sourced from PubChem (CID 54229356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).