N-[(1-ethoxycyclopropyl)oxymethyl]-N-methylformamide

C8H15NO3 — CID 15749122

IUPACN-[(1-ethoxycyclopropyl)oxymethyl]-N-methylformamide
SMILESCCOC1(OCN(C)C=O)CC1
InChIInChI=1S/C8H15NO3/c1-3-11-8(4-5-8)12-7-9(2)6-10/h6H,3-5,7H2,1-2H3
InChIKeyZBAWPILQKIMILC-UHFFFAOYSA-N
MW173.21 g/mol
LogP0.58
Rot. Bonds6

About N-[(1-ethoxycyclopropyl)oxymethyl]-N-methylformamide

N-[(1-ethoxycyclopropyl)oxymethyl]-N-methylformamide (PubChem CID 15749122) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is N-[(1-ethoxycyclopropyl)oxymethyl]-N-methylformamide.

Molecular Properties

Compound NameN-[(1-ethoxycyclopropyl)oxymethyl]-N-methylformamide
PubChem CID15749122
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC NameN-[(1-ethoxycyclopropyl)oxymethyl]-N-methylformamide
SMILESCCOC1(OCN(C)C=O)CC1
InChIInChI=1S/C8H15NO3/c1-3-11-8(4-5-8)12-7-9(2)6-10/h6H,3-5,7H2,1-2H3
InChIKeyZBAWPILQKIMILC-UHFFFAOYSA-N
XLogP0.58
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-[(1-ethoxycyclopropyl)oxymethyl]-N-methylformamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethoxycyclopropyl)oxymethyl]-N-methylformamide?
The IUPAC name of N-[(1-ethoxycyclopropyl)oxymethyl]-N-methylformamide (CID 15749122) is N-[(1-ethoxycyclopropyl)oxymethyl]-N-methylformamide.
What is the SMILES notation for N-[(1-ethoxycyclopropyl)oxymethyl]-N-methylformamide?
The canonical SMILES for N-[(1-ethoxycyclopropyl)oxymethyl]-N-methylformamide is CCOC1(OCN(C)C=O)CC1.
What is the InChIKey of N-[(1-ethoxycyclopropyl)oxymethyl]-N-methylformamide?
The InChIKey is ZBAWPILQKIMILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-3-11-8(4-5-8)12-7-9(2)6-10/h6H,3-5,7H2,1-2H3.
What are the key properties of N-[(1-ethoxycyclopropyl)oxymethyl]-N-methylformamide?
N-[(1-ethoxycyclopropyl)oxymethyl]-N-methylformamide has a molecular weight of 173.21 g/mol, XLogP of 0.58, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethoxycyclopropyl)oxymethyl]-N-methylformamide is sourced from PubChem (CID 15749122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).