N-[(3-methyloxetan-3-yl)methyl]-2-azaspiro[5.5]undec-9-ene-2-carboxamide

C16H26N2O2 — CID 127322580

IUPACN-[(3-methyloxetan-3-yl)methyl]-2-azaspiro[5.5]undec-9-ene-2-carboxamide
SMILESCC1(CNC(=O)N2CCCC3(CC=CCC3)C2)COC1
InChIInChI=1S/C16H26N2O2/c1-15(12-20-13-15)10-17-14(19)18-9-5-8-16(11-18)6-3-2-4-7-16/h2-3H,4-13H2,1H3,(H,17,19)
InChIKeyGTSXWQQOMVKJDY-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.55
Rot. Bonds2

About N-[(3-methyloxetan-3-yl)methyl]-2-azaspiro[5.5]undec-9-ene-2-carboxamide

N-[(3-methyloxetan-3-yl)methyl]-2-azaspiro[5.5]undec-9-ene-2-carboxamide (PubChem CID 127322580) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[(3-methyloxetan-3-yl)methyl]-2-azaspiro[5.5]undec-9-ene-2-carboxamide.

Molecular Properties

Compound NameN-[(3-methyloxetan-3-yl)methyl]-2-azaspiro[5.5]undec-9-ene-2-carboxamide
PubChem CID127322580
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-[(3-methyloxetan-3-yl)methyl]-2-azaspiro[5.5]undec-9-ene-2-carboxamide
SMILESCC1(CNC(=O)N2CCCC3(CC=CCC3)C2)COC1
InChIInChI=1S/C16H26N2O2/c1-15(12-20-13-15)10-17-14(19)18-9-5-8-16(11-18)6-3-2-4-7-16/h2-3H,4-13H2,1H3,(H,17,19)
InChIKeyGTSXWQQOMVKJDY-UHFFFAOYSA-N
XLogP2.55
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methyloxetan-3-yl)methyl]-2-azaspiro[5.5]undec-9-ene-2-carboxamide?
The IUPAC name of N-[(3-methyloxetan-3-yl)methyl]-2-azaspiro[5.5]undec-9-ene-2-carboxamide (CID 127322580) is N-[(3-methyloxetan-3-yl)methyl]-2-azaspiro[5.5]undec-9-ene-2-carboxamide.
What is the SMILES notation for N-[(3-methyloxetan-3-yl)methyl]-2-azaspiro[5.5]undec-9-ene-2-carboxamide?
The canonical SMILES for N-[(3-methyloxetan-3-yl)methyl]-2-azaspiro[5.5]undec-9-ene-2-carboxamide is CC1(CNC(=O)N2CCCC3(CC=CCC3)C2)COC1.
What is the InChIKey of N-[(3-methyloxetan-3-yl)methyl]-2-azaspiro[5.5]undec-9-ene-2-carboxamide?
The InChIKey is GTSXWQQOMVKJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-15(12-20-13-15)10-17-14(19)18-9-5-8-16(11-18)6-3-2-4-7-16/h2-3H,4-13H2,1H3,(H,17,19).
What are the key properties of N-[(3-methyloxetan-3-yl)methyl]-2-azaspiro[5.5]undec-9-ene-2-carboxamide?
N-[(3-methyloxetan-3-yl)methyl]-2-azaspiro[5.5]undec-9-ene-2-carboxamide has a molecular weight of 278.40 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyloxetan-3-yl)methyl]-2-azaspiro[5.5]undec-9-ene-2-carboxamide is sourced from PubChem (CID 127322580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).