2-(2-methoxyprop-2-enoyl)-N-methyl-2,7-diazaspiro[3.5]nonane-7-carboxamide

C13H21N3O3 — CID 170011341

IUPAC2-(2-methoxyprop-2-enoyl)-N-methyl-2,7-diazaspiro[3.5]nonane-7-carboxamide
SMILESC=C(OC)C(=O)N1CC2(CCN(C(=O)NC)CC2)C1
InChIInChI=1S/C13H21N3O3/c1-10(19-3)11(17)16-8-13(9-16)4-6-15(7-5-13)12(18)14-2/h1,4-9H2,2-3H3,(H,14,18)
InChIKeyBFUMJMBJBQPBGL-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.41
Rot. Bonds2

About 2-(2-methoxyprop-2-enoyl)-N-methyl-2,7-diazaspiro[3.5]nonane-7-carboxamide

2-(2-methoxyprop-2-enoyl)-N-methyl-2,7-diazaspiro[3.5]nonane-7-carboxamide (PubChem CID 170011341) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-(2-methoxyprop-2-enoyl)-N-methyl-2,7-diazaspiro[3.5]nonane-7-carboxamide.

Molecular Properties

Compound Name2-(2-methoxyprop-2-enoyl)-N-methyl-2,7-diazaspiro[3.5]nonane-7-carboxamide
PubChem CID170011341
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name2-(2-methoxyprop-2-enoyl)-N-methyl-2,7-diazaspiro[3.5]nonane-7-carboxamide
SMILESC=C(OC)C(=O)N1CC2(CCN(C(=O)NC)CC2)C1
InChIInChI=1S/C13H21N3O3/c1-10(19-3)11(17)16-8-13(9-16)4-6-15(7-5-13)12(18)14-2/h1,4-9H2,2-3H3,(H,14,18)
InChIKeyBFUMJMBJBQPBGL-UHFFFAOYSA-N
XLogP0.41
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyprop-2-enoyl)-N-methyl-2,7-diazaspiro[3.5]nonane-7-carboxamide?
The IUPAC name of 2-(2-methoxyprop-2-enoyl)-N-methyl-2,7-diazaspiro[3.5]nonane-7-carboxamide (CID 170011341) is 2-(2-methoxyprop-2-enoyl)-N-methyl-2,7-diazaspiro[3.5]nonane-7-carboxamide.
What is the SMILES notation for 2-(2-methoxyprop-2-enoyl)-N-methyl-2,7-diazaspiro[3.5]nonane-7-carboxamide?
The canonical SMILES for 2-(2-methoxyprop-2-enoyl)-N-methyl-2,7-diazaspiro[3.5]nonane-7-carboxamide is C=C(OC)C(=O)N1CC2(CCN(C(=O)NC)CC2)C1.
What is the InChIKey of 2-(2-methoxyprop-2-enoyl)-N-methyl-2,7-diazaspiro[3.5]nonane-7-carboxamide?
The InChIKey is BFUMJMBJBQPBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-10(19-3)11(17)16-8-13(9-16)4-6-15(7-5-13)12(18)14-2/h1,4-9H2,2-3H3,(H,14,18).
What are the key properties of 2-(2-methoxyprop-2-enoyl)-N-methyl-2,7-diazaspiro[3.5]nonane-7-carboxamide?
2-(2-methoxyprop-2-enoyl)-N-methyl-2,7-diazaspiro[3.5]nonane-7-carboxamide has a molecular weight of 267.33 g/mol, XLogP of 0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyprop-2-enoyl)-N-methyl-2,7-diazaspiro[3.5]nonane-7-carboxamide is sourced from PubChem (CID 170011341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).