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

C7H12N2O2 — CID 142482411

IUPACN-[3-(hydroxymethyl)azetidin-3-yl]prop-2-enamide
SMILESC=CC(=O)NC1(CO)CNC1
InChIInChI=1S/C7H12N2O2/c1-2-6(11)9-7(5-10)3-8-4-7/h2,8,10H,1,3-5H2,(H,9,11)
InChIKeyLEHQCWDXCQTLEJ-UHFFFAOYSA-N
MW156.19 g/mol
LogP-1.38
Rot. Bonds3

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

N-[3-(hydroxymethyl)azetidin-3-yl]prop-2-enamide (PubChem CID 142482411) has the molecular formula C7H12N2O2 and a molecular weight of 156.19 g/mol. Its IUPAC name is N-[3-(hydroxymethyl)azetidin-3-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-(hydroxymethyl)azetidin-3-yl]prop-2-enamide
PubChem CID142482411
Molecular FormulaC7H12N2O2
Molecular Weight156.19 g/mol
Exact Mass156.09
IUPAC NameN-[3-(hydroxymethyl)azetidin-3-yl]prop-2-enamide
SMILESC=CC(=O)NC1(CO)CNC1
InChIInChI=1S/C7H12N2O2/c1-2-6(11)9-7(5-10)3-8-4-7/h2,8,10H,1,3-5H2,(H,9,11)
InChIKeyLEHQCWDXCQTLEJ-UHFFFAOYSA-N
XLogP-1.38
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 5-1.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(hydroxymethyl)-1-propan-2-ylazetidin-3-yl]prop-2-enamide
CID 135165407
N-[3-(hydroxymethyl)-1-methylazetidin-3-yl]prop-2-enamide
CID 146439809
N-[1-ethyl-3-(hydroxymethyl)azetidin-3-yl]prop-2-enamide
CID 167076186

Frequently Asked Questions

What is the IUPAC name of N-[3-(hydroxymethyl)azetidin-3-yl]prop-2-enamide?
The IUPAC name of N-[3-(hydroxymethyl)azetidin-3-yl]prop-2-enamide (CID 142482411) is N-[3-(hydroxymethyl)azetidin-3-yl]prop-2-enamide.
What is the SMILES notation for N-[3-(hydroxymethyl)azetidin-3-yl]prop-2-enamide?
The canonical SMILES for N-[3-(hydroxymethyl)azetidin-3-yl]prop-2-enamide is C=CC(=O)NC1(CO)CNC1.
What is the InChIKey of N-[3-(hydroxymethyl)azetidin-3-yl]prop-2-enamide?
The InChIKey is LEHQCWDXCQTLEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-2-6(11)9-7(5-10)3-8-4-7/h2,8,10H,1,3-5H2,(H,9,11).
What are the key properties of N-[3-(hydroxymethyl)azetidin-3-yl]prop-2-enamide?
N-[3-(hydroxymethyl)azetidin-3-yl]prop-2-enamide has a molecular weight of 156.19 g/mol, XLogP of -1.38, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(hydroxymethyl)azetidin-3-yl]prop-2-enamide is sourced from PubChem (CID 142482411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).