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

C10H18N2O2 — CID 135165407

IUPACN-[3-(hydroxymethyl)-1-propan-2-ylazetidin-3-yl]prop-2-enamide
SMILESC=CC(=O)NC1(CO)CN(C(C)C)C1
InChIInChI=1S/C10H18N2O2/c1-4-9(14)11-10(7-13)5-12(6-10)8(2)3/h4,8,13H,1,5-7H2,2-3H3,(H,11,14)
InChIKeyZWUTVEAAUBQLII-UHFFFAOYSA-N
MW198.27 g/mol
LogP-0.26
Rot. Bonds4

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

N-[3-(hydroxymethyl)-1-propan-2-ylazetidin-3-yl]prop-2-enamide (PubChem CID 135165407) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is N-[3-(hydroxymethyl)-1-propan-2-ylazetidin-3-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-(hydroxymethyl)-1-propan-2-ylazetidin-3-yl]prop-2-enamide
PubChem CID135165407
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC NameN-[3-(hydroxymethyl)-1-propan-2-ylazetidin-3-yl]prop-2-enamide
SMILESC=CC(=O)NC1(CO)CN(C(C)C)C1
InChIInChI=1S/C10H18N2O2/c1-4-9(14)11-10(7-13)5-12(6-10)8(2)3/h4,8,13H,1,5-7H2,2-3H3,(H,11,14)
InChIKeyZWUTVEAAUBQLII-UHFFFAOYSA-N
XLogP-0.26
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 5-0.26
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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Related Compounds

N-[3-(1-hydroxyethenyl)-1-propan-2-ylazetidin-3-yl]prop-2-enamide
CID 135165430
1-Propan-2-yl-3-(prop-2-enoylamino)azetidine-3-carboxylic acid
CID 135165509
N-[3-(hydroxymethyl)azetidin-3-yl]prop-2-enamide
CID 142482411
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)-1-propan-2-ylazetidin-3-yl]prop-2-enamide?
The IUPAC name of N-[3-(hydroxymethyl)-1-propan-2-ylazetidin-3-yl]prop-2-enamide (CID 135165407) is N-[3-(hydroxymethyl)-1-propan-2-ylazetidin-3-yl]prop-2-enamide.
What is the SMILES notation for N-[3-(hydroxymethyl)-1-propan-2-ylazetidin-3-yl]prop-2-enamide?
The canonical SMILES for N-[3-(hydroxymethyl)-1-propan-2-ylazetidin-3-yl]prop-2-enamide is C=CC(=O)NC1(CO)CN(C(C)C)C1.
What is the InChIKey of N-[3-(hydroxymethyl)-1-propan-2-ylazetidin-3-yl]prop-2-enamide?
The InChIKey is ZWUTVEAAUBQLII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-4-9(14)11-10(7-13)5-12(6-10)8(2)3/h4,8,13H,1,5-7H2,2-3H3,(H,11,14).
What are the key properties of N-[3-(hydroxymethyl)-1-propan-2-ylazetidin-3-yl]prop-2-enamide?
N-[3-(hydroxymethyl)-1-propan-2-ylazetidin-3-yl]prop-2-enamide has a molecular weight of 198.27 g/mol, XLogP of -0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(hydroxymethyl)-1-propan-2-ylazetidin-3-yl]prop-2-enamide is sourced from PubChem (CID 135165407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).