N-ethenyl-N-[(3-ethyloxetan-3-yl)methyl]formamide

C9H15NO2 — CID 58338970

IUPACN-ethenyl-N-[(3-ethyloxetan-3-yl)methyl]formamide
SMILESC=CN(C=O)CC1(CC)COC1
InChIInChI=1S/C9H15NO2/c1-3-9(6-12-7-9)5-10(4-2)8-11/h4,8H,2-3,5-7H2,1H3
InChIKeyRRTAJGYEDGZQGW-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.01
Rot. Bonds5

About N-ethenyl-N-[(3-ethyloxetan-3-yl)methyl]formamide

N-ethenyl-N-[(3-ethyloxetan-3-yl)methyl]formamide (PubChem CID 58338970) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is N-ethenyl-N-[(3-ethyloxetan-3-yl)methyl]formamide.

Molecular Properties

Compound NameN-ethenyl-N-[(3-ethyloxetan-3-yl)methyl]formamide
PubChem CID58338970
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC NameN-ethenyl-N-[(3-ethyloxetan-3-yl)methyl]formamide
SMILESC=CN(C=O)CC1(CC)COC1
InChIInChI=1S/C9H15NO2/c1-3-9(6-12-7-9)5-10(4-2)8-11/h4,8H,2-3,5-7H2,1H3
InChIKeyRRTAJGYEDGZQGW-UHFFFAOYSA-N
XLogP1.01
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-ethenyl-N-[(3-ethyloxetan-3-yl)methyl]formamide 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-ethenyl-N-[(3-ethyloxetan-3-yl)methyl]formamide?
The IUPAC name of N-ethenyl-N-[(3-ethyloxetan-3-yl)methyl]formamide (CID 58338970) is N-ethenyl-N-[(3-ethyloxetan-3-yl)methyl]formamide.
What is the SMILES notation for N-ethenyl-N-[(3-ethyloxetan-3-yl)methyl]formamide?
The canonical SMILES for N-ethenyl-N-[(3-ethyloxetan-3-yl)methyl]formamide is C=CN(C=O)CC1(CC)COC1.
What is the InChIKey of N-ethenyl-N-[(3-ethyloxetan-3-yl)methyl]formamide?
The InChIKey is RRTAJGYEDGZQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-3-9(6-12-7-9)5-10(4-2)8-11/h4,8H,2-3,5-7H2,1H3.
What are the key properties of N-ethenyl-N-[(3-ethyloxetan-3-yl)methyl]formamide?
N-ethenyl-N-[(3-ethyloxetan-3-yl)methyl]formamide has a molecular weight of 169.22 g/mol, XLogP of 1.01, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-N-[(3-ethyloxetan-3-yl)methyl]formamide is sourced from PubChem (CID 58338970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).