N-[3-(hydroxymethyl)-1-methylazetidin-3-yl]prop-2-enamide

C8H14N2O2 — CID 146439809

IUPACN-[3-(hydroxymethyl)-1-methylazetidin-3-yl]prop-2-enamide
SMILESC=CC(=O)NC1(CO)CN(C)C1
InChIInChI=1S/C8H14N2O2/c1-3-7(12)9-8(6-11)4-10(2)5-8/h3,11H,1,4-6H2,2H3,(H,9,12)
InChIKeyICMWRAUWWJWRDP-UHFFFAOYSA-N
MW170.21 g/mol
LogP-1.03
Rot. Bonds3

About N-[3-(hydroxymethyl)-1-methylazetidin-3-yl]prop-2-enamide

N-[3-(hydroxymethyl)-1-methylazetidin-3-yl]prop-2-enamide (PubChem CID 146439809) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is N-[3-(hydroxymethyl)-1-methylazetidin-3-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-(hydroxymethyl)-1-methylazetidin-3-yl]prop-2-enamide
PubChem CID146439809
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC NameN-[3-(hydroxymethyl)-1-methylazetidin-3-yl]prop-2-enamide
SMILESC=CC(=O)NC1(CO)CN(C)C1
InChIInChI=1S/C8H14N2O2/c1-3-7(12)9-8(6-11)4-10(2)5-8/h3,11H,1,4-6H2,2H3,(H,9,12)
InChIKeyICMWRAUWWJWRDP-UHFFFAOYSA-N
XLogP-1.03
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 5-1.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(hydroxymethyl)-1-methylazetidin-3-yl]prop-2-enamide?
The IUPAC name of N-[3-(hydroxymethyl)-1-methylazetidin-3-yl]prop-2-enamide (CID 146439809) is N-[3-(hydroxymethyl)-1-methylazetidin-3-yl]prop-2-enamide.
What is the SMILES notation for N-[3-(hydroxymethyl)-1-methylazetidin-3-yl]prop-2-enamide?
The canonical SMILES for N-[3-(hydroxymethyl)-1-methylazetidin-3-yl]prop-2-enamide is C=CC(=O)NC1(CO)CN(C)C1.
What is the InChIKey of N-[3-(hydroxymethyl)-1-methylazetidin-3-yl]prop-2-enamide?
The InChIKey is ICMWRAUWWJWRDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-3-7(12)9-8(6-11)4-10(2)5-8/h3,11H,1,4-6H2,2H3,(H,9,12).
What are the key properties of N-[3-(hydroxymethyl)-1-methylazetidin-3-yl]prop-2-enamide?
N-[3-(hydroxymethyl)-1-methylazetidin-3-yl]prop-2-enamide has a molecular weight of 170.21 g/mol, XLogP of -1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(hydroxymethyl)-1-methylazetidin-3-yl]prop-2-enamide is sourced from PubChem (CID 146439809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).