2-[1-(1,3-benzodioxol-5-ylmethoxymethyl)cyclopropyl]-N'-hydroxyethanimidamide

C14H18N2O4 — CID 77070732

IUPAC2-[1-(1,3-benzodioxol-5-ylmethoxymethyl)cyclopropyl]-N'-hydroxyethanimidamide
SMILESNC(CC1(COCc2ccc3c(c2)OCO3)CC1)=NO
InChIInChI=1S/C14H18N2O4/c15-13(16-17)6-14(3-4-14)8-18-7-10-1-2-11-12(5-10)20-9-19-11/h1-2,5,17H,3-4,6-9H2,(H2,15,16)
InChIKeyHZDABHTZZVMQCO-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.85
Rot. Bonds6

About 2-[1-(1,3-benzodioxol-5-ylmethoxymethyl)cyclopropyl]-N'-hydroxyethanimidamide

2-[1-(1,3-benzodioxol-5-ylmethoxymethyl)cyclopropyl]-N'-hydroxyethanimidamide (PubChem CID 77070732) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-[1-(1,3-benzodioxol-5-ylmethoxymethyl)cyclopropyl]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[1-(1,3-benzodioxol-5-ylmethoxymethyl)cyclopropyl]-N'-hydroxyethanimidamide
PubChem CID77070732
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name2-[1-(1,3-benzodioxol-5-ylmethoxymethyl)cyclopropyl]-N'-hydroxyethanimidamide
SMILESNC(CC1(COCc2ccc3c(c2)OCO3)CC1)=NO
InChIInChI=1S/C14H18N2O4/c15-13(16-17)6-14(3-4-14)8-18-7-10-1-2-11-12(5-10)20-9-19-11/h1-2,5,17H,3-4,6-9H2,(H2,15,16)
InChIKeyHZDABHTZZVMQCO-UHFFFAOYSA-N
XLogP1.85
TPSA86.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[1-(1,3-benzodioxol-5-ylmethoxymethyl)cyclopropyl]-N'-hydroxyethanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[[1-(bromomethyl)cyclohexyl]methoxymethyl]-1,3-benzodioxole
CID 65001893
O-(1,3-benzodioxol-5-ylmethyl)hydroxylamine
CID 22419624
5-(methoxymethoxymethyl)-1,3-benzodioxole
CID 20689919
5-(propoxymethyl)-1,3-benzodioxole
CID 10262036
6-(1,3-benzodioxol-5-ylmethoxy)-N'-hydroxypyridine-3-carboximidamide
CID 24710899
5-(1,3-benzodioxol-5-ylmethoxy)pentan-1-amine
CID 54966297
5-(1,3-benzodioxol-5-ylmethoxymethyl)-2-chloroaniline
CID 43349968
1-(1,3-benzodioxol-5-ylmethoxy)pentan-2-one
CID 62043610
[4-(1,3-benzodioxol-5-ylmethoxymethyl)-2-pyridinyl]methanamine
CID 63889462
4-(1,3-benzodioxol-5-ylmethoxymethyl)thiadiazol-5-amine
CID 62194277
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(1,3-benzodioxol-5-yl)acetamide
CID 115271331
[1-amino-2-(1,3-benzodioxol-5-yl)ethylidene]azanium
CID 6346816

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1,3-benzodioxol-5-ylmethoxymethyl)cyclopropyl]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[1-(1,3-benzodioxol-5-ylmethoxymethyl)cyclopropyl]-N'-hydroxyethanimidamide (CID 77070732) is 2-[1-(1,3-benzodioxol-5-ylmethoxymethyl)cyclopropyl]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[1-(1,3-benzodioxol-5-ylmethoxymethyl)cyclopropyl]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[1-(1,3-benzodioxol-5-ylmethoxymethyl)cyclopropyl]-N'-hydroxyethanimidamide is NC(CC1(COCc2ccc3c(c2)OCO3)CC1)=NO.
What is the InChIKey of 2-[1-(1,3-benzodioxol-5-ylmethoxymethyl)cyclopropyl]-N'-hydroxyethanimidamide?
The InChIKey is HZDABHTZZVMQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c15-13(16-17)6-14(3-4-14)8-18-7-10-1-2-11-12(5-10)20-9-19-11/h1-2,5,17H,3-4,6-9H2,(H2,15,16).
What are the key properties of 2-[1-(1,3-benzodioxol-5-ylmethoxymethyl)cyclopropyl]-N'-hydroxyethanimidamide?
2-[1-(1,3-benzodioxol-5-ylmethoxymethyl)cyclopropyl]-N'-hydroxyethanimidamide has a molecular weight of 278.31 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1,3-benzodioxol-5-ylmethoxymethyl)cyclopropyl]-N'-hydroxyethanimidamide is sourced from PubChem (CID 77070732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).