N-methyl-4-prop-2-enoyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide

C13H21N3O3 — CID 166143990

IUPACN-methyl-4-prop-2-enoyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide
SMILESC=CC(=O)N1CCOC2(CCN(C(=O)NC)CC2)C1
InChIInChI=1S/C13H21N3O3/c1-3-11(17)16-8-9-19-13(10-16)4-6-15(7-5-13)12(18)14-2/h3H,1,4-10H2,2H3,(H,14,18)
InChIKeyPEIKCLBJGHUPTG-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.21
Rot. Bonds1

About N-methyl-4-prop-2-enoyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide

N-methyl-4-prop-2-enoyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide (PubChem CID 166143990) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is N-methyl-4-prop-2-enoyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide.

Molecular Properties

Compound NameN-methyl-4-prop-2-enoyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide
PubChem CID166143990
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC NameN-methyl-4-prop-2-enoyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide
SMILESC=CC(=O)N1CCOC2(CCN(C(=O)NC)CC2)C1
InChIInChI=1S/C13H21N3O3/c1-3-11(17)16-8-9-19-13(10-16)4-6-15(7-5-13)12(18)14-2/h3H,1,4-10H2,2H3,(H,14,18)
InChIKeyPEIKCLBJGHUPTG-UHFFFAOYSA-N
XLogP0.21
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.21
H-Bond Donors ≤ 51
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-methyl-4-prop-2-enoyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide?
The IUPAC name of N-methyl-4-prop-2-enoyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide (CID 166143990) is N-methyl-4-prop-2-enoyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide.
What is the SMILES notation for N-methyl-4-prop-2-enoyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide?
The canonical SMILES for N-methyl-4-prop-2-enoyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide is C=CC(=O)N1CCOC2(CCN(C(=O)NC)CC2)C1.
What is the InChIKey of N-methyl-4-prop-2-enoyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide?
The InChIKey is PEIKCLBJGHUPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-3-11(17)16-8-9-19-13(10-16)4-6-15(7-5-13)12(18)14-2/h3H,1,4-10H2,2H3,(H,14,18).
What are the key properties of N-methyl-4-prop-2-enoyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide?
N-methyl-4-prop-2-enoyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide has a molecular weight of 267.33 g/mol, XLogP of 0.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-prop-2-enoyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide is sourced from PubChem (CID 166143990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).