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

C9H16N2O2 — CID 167076186

IUPACN-[1-ethyl-3-(hydroxymethyl)azetidin-3-yl]prop-2-enamide
SMILESC=CC(=O)NC1(CO)CN(CC)C1
InChIInChI=1S/C9H16N2O2/c1-3-8(13)10-9(7-12)5-11(4-2)6-9/h3,12H,1,4-7H2,2H3,(H,10,13)
InChIKeyDHSYNCPXFNKHJX-UHFFFAOYSA-N
MW184.24 g/mol
LogP-0.64
Rot. Bonds4

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

N-[1-ethyl-3-(hydroxymethyl)azetidin-3-yl]prop-2-enamide (PubChem CID 167076186) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is N-[1-ethyl-3-(hydroxymethyl)azetidin-3-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[1-ethyl-3-(hydroxymethyl)azetidin-3-yl]prop-2-enamide
PubChem CID167076186
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC NameN-[1-ethyl-3-(hydroxymethyl)azetidin-3-yl]prop-2-enamide
SMILESC=CC(=O)NC1(CO)CN(CC)C1
InChIInChI=1S/C9H16N2O2/c1-3-8(13)10-9(7-12)5-11(4-2)6-9/h3,12H,1,4-7H2,2H3,(H,10,13)
InChIKeyDHSYNCPXFNKHJX-UHFFFAOYSA-N
XLogP-0.64
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-0.64
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-[1-ethyl-3-(hydroxymethyl)azetidin-3-yl]prop-2-enamide?
The IUPAC name of N-[1-ethyl-3-(hydroxymethyl)azetidin-3-yl]prop-2-enamide (CID 167076186) is N-[1-ethyl-3-(hydroxymethyl)azetidin-3-yl]prop-2-enamide.
What is the SMILES notation for N-[1-ethyl-3-(hydroxymethyl)azetidin-3-yl]prop-2-enamide?
The canonical SMILES for N-[1-ethyl-3-(hydroxymethyl)azetidin-3-yl]prop-2-enamide is C=CC(=O)NC1(CO)CN(CC)C1.
What is the InChIKey of N-[1-ethyl-3-(hydroxymethyl)azetidin-3-yl]prop-2-enamide?
The InChIKey is DHSYNCPXFNKHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-3-8(13)10-9(7-12)5-11(4-2)6-9/h3,12H,1,4-7H2,2H3,(H,10,13).
What are the key properties of N-[1-ethyl-3-(hydroxymethyl)azetidin-3-yl]prop-2-enamide?
N-[1-ethyl-3-(hydroxymethyl)azetidin-3-yl]prop-2-enamide has a molecular weight of 184.24 g/mol, XLogP of -0.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-ethyl-3-(hydroxymethyl)azetidin-3-yl]prop-2-enamide is sourced from PubChem (CID 167076186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).