6-(cyclohexa-1,3-dien-1-ylmethoxy)-4-azaspiro[2.4]heptane

C13H19NO — CID 146640446

IUPAC6-(cyclohexa-1,3-dien-1-ylmethoxy)-4-azaspiro[2.4]heptane
SMILESC1=CCCC(COC2CNC3(CC3)C2)=C1
InChIInChI=1S/C13H19NO/c1-2-4-11(5-3-1)10-15-12-8-13(6-7-13)14-9-12/h1-2,4,12,14H,3,5-10H2
InChIKeyHMMCZHBHAYWSAQ-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.17
Rot. Bonds3

About 6-(cyclohexa-1,3-dien-1-ylmethoxy)-4-azaspiro[2.4]heptane

6-(cyclohexa-1,3-dien-1-ylmethoxy)-4-azaspiro[2.4]heptane (PubChem CID 146640446) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 6-(cyclohexa-1,3-dien-1-ylmethoxy)-4-azaspiro[2.4]heptane.

Molecular Properties

Compound Name6-(cyclohexa-1,3-dien-1-ylmethoxy)-4-azaspiro[2.4]heptane
PubChem CID146640446
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name6-(cyclohexa-1,3-dien-1-ylmethoxy)-4-azaspiro[2.4]heptane
SMILESC1=CCCC(COC2CNC3(CC3)C2)=C1
InChIInChI=1S/C13H19NO/c1-2-4-11(5-3-1)10-15-12-8-13(6-7-13)14-9-12/h1-2,4,12,14H,3,5-10H2
InChIKeyHMMCZHBHAYWSAQ-UHFFFAOYSA-N
XLogP2.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclohexa-1,3-dien-1-ylmethoxy)-4-azaspiro[2.4]heptane?
The IUPAC name of 6-(cyclohexa-1,3-dien-1-ylmethoxy)-4-azaspiro[2.4]heptane (CID 146640446) is 6-(cyclohexa-1,3-dien-1-ylmethoxy)-4-azaspiro[2.4]heptane.
What is the SMILES notation for 6-(cyclohexa-1,3-dien-1-ylmethoxy)-4-azaspiro[2.4]heptane?
The canonical SMILES for 6-(cyclohexa-1,3-dien-1-ylmethoxy)-4-azaspiro[2.4]heptane is C1=CCCC(COC2CNC3(CC3)C2)=C1.
What is the InChIKey of 6-(cyclohexa-1,3-dien-1-ylmethoxy)-4-azaspiro[2.4]heptane?
The InChIKey is HMMCZHBHAYWSAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-2-4-11(5-3-1)10-15-12-8-13(6-7-13)14-9-12/h1-2,4,12,14H,3,5-10H2.
What are the key properties of 6-(cyclohexa-1,3-dien-1-ylmethoxy)-4-azaspiro[2.4]heptane?
6-(cyclohexa-1,3-dien-1-ylmethoxy)-4-azaspiro[2.4]heptane has a molecular weight of 205.30 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclohexa-1,3-dien-1-ylmethoxy)-4-azaspiro[2.4]heptane is sourced from PubChem (CID 146640446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).