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

C12H22N2O2 — CID 135165392

IUPACN-[2-(2-hydroxypropan-2-yl)-1-propan-2-ylazetidin-3-yl]prop-2-enamide
SMILESC=CC(=O)NC1CN(C(C)C)C1C(C)(C)O
InChIInChI=1S/C12H22N2O2/c1-6-10(15)13-9-7-14(8(2)3)11(9)12(4,5)16/h6,8-9,11,16H,1,7H2,2-5H3,(H,13,15)
InChIKeyJIHSFTYRUANAMP-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.52
Rot. Bonds4

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

N-[2-(2-hydroxypropan-2-yl)-1-propan-2-ylazetidin-3-yl]prop-2-enamide (PubChem CID 135165392) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N-[2-(2-hydroxypropan-2-yl)-1-propan-2-ylazetidin-3-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-(2-hydroxypropan-2-yl)-1-propan-2-ylazetidin-3-yl]prop-2-enamide
PubChem CID135165392
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC NameN-[2-(2-hydroxypropan-2-yl)-1-propan-2-ylazetidin-3-yl]prop-2-enamide
SMILESC=CC(=O)NC1CN(C(C)C)C1C(C)(C)O
InChIInChI=1S/C12H22N2O2/c1-6-10(15)13-9-7-14(8(2)3)11(9)12(4,5)16/h6,8-9,11,16H,1,7H2,2-5H3,(H,13,15)
InChIKeyJIHSFTYRUANAMP-UHFFFAOYSA-N
XLogP0.52
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.52
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-[2-(2-hydroxypropan-2-yl)-1-propan-2-ylazetidin-3-yl]prop-2-enamide?
The IUPAC name of N-[2-(2-hydroxypropan-2-yl)-1-propan-2-ylazetidin-3-yl]prop-2-enamide (CID 135165392) is N-[2-(2-hydroxypropan-2-yl)-1-propan-2-ylazetidin-3-yl]prop-2-enamide.
What is the SMILES notation for N-[2-(2-hydroxypropan-2-yl)-1-propan-2-ylazetidin-3-yl]prop-2-enamide?
The canonical SMILES for N-[2-(2-hydroxypropan-2-yl)-1-propan-2-ylazetidin-3-yl]prop-2-enamide is C=CC(=O)NC1CN(C(C)C)C1C(C)(C)O.
What is the InChIKey of N-[2-(2-hydroxypropan-2-yl)-1-propan-2-ylazetidin-3-yl]prop-2-enamide?
The InChIKey is JIHSFTYRUANAMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-6-10(15)13-9-7-14(8(2)3)11(9)12(4,5)16/h6,8-9,11,16H,1,7H2,2-5H3,(H,13,15).
What are the key properties of N-[2-(2-hydroxypropan-2-yl)-1-propan-2-ylazetidin-3-yl]prop-2-enamide?
N-[2-(2-hydroxypropan-2-yl)-1-propan-2-ylazetidin-3-yl]prop-2-enamide has a molecular weight of 226.32 g/mol, XLogP of 0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxypropan-2-yl)-1-propan-2-ylazetidin-3-yl]prop-2-enamide is sourced from PubChem (CID 135165392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).