1-(2-methoxyphenyl)-7-oxa-1,3-diazaspiro[4.4]non-2-en-2-amine

C13H17N3O2 — CID 79514648

IUPAC1-(2-methoxyphenyl)-7-oxa-1,3-diazaspiro[4.4]non-2-en-2-amine
SMILESCOc1ccccc1N1C(N)=NCC12CCOC2
InChIInChI=1S/C13H17N3O2/c1-17-11-5-3-2-4-10(11)16-12(14)15-8-13(16)6-7-18-9-13/h2-5H,6-9H2,1H3,(H2,14,15)
InChIKeySYTWIKXTZGKWOD-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.99
Rot. Bonds2

About 1-(2-methoxyphenyl)-7-oxa-1,3-diazaspiro[4.4]non-2-en-2-amine

1-(2-methoxyphenyl)-7-oxa-1,3-diazaspiro[4.4]non-2-en-2-amine (PubChem CID 79514648) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-7-oxa-1,3-diazaspiro[4.4]non-2-en-2-amine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-7-oxa-1,3-diazaspiro[4.4]non-2-en-2-amine
PubChem CID79514648
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name1-(2-methoxyphenyl)-7-oxa-1,3-diazaspiro[4.4]non-2-en-2-amine
SMILESCOc1ccccc1N1C(N)=NCC12CCOC2
InChIInChI=1S/C13H17N3O2/c1-17-11-5-3-2-4-10(11)16-12(14)15-8-13(16)6-7-18-9-13/h2-5H,6-9H2,1H3,(H2,14,15)
InChIKeySYTWIKXTZGKWOD-UHFFFAOYSA-N
XLogP0.99
TPSA60.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-7-oxa-1,3-diazaspiro[4.4]non-2-en-2-amine?
The IUPAC name of 1-(2-methoxyphenyl)-7-oxa-1,3-diazaspiro[4.4]non-2-en-2-amine (CID 79514648) is 1-(2-methoxyphenyl)-7-oxa-1,3-diazaspiro[4.4]non-2-en-2-amine.
What is the SMILES notation for 1-(2-methoxyphenyl)-7-oxa-1,3-diazaspiro[4.4]non-2-en-2-amine?
The canonical SMILES for 1-(2-methoxyphenyl)-7-oxa-1,3-diazaspiro[4.4]non-2-en-2-amine is COc1ccccc1N1C(N)=NCC12CCOC2.
What is the InChIKey of 1-(2-methoxyphenyl)-7-oxa-1,3-diazaspiro[4.4]non-2-en-2-amine?
The InChIKey is SYTWIKXTZGKWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-17-11-5-3-2-4-10(11)16-12(14)15-8-13(16)6-7-18-9-13/h2-5H,6-9H2,1H3,(H2,14,15).
What are the key properties of 1-(2-methoxyphenyl)-7-oxa-1,3-diazaspiro[4.4]non-2-en-2-amine?
1-(2-methoxyphenyl)-7-oxa-1,3-diazaspiro[4.4]non-2-en-2-amine has a molecular weight of 247.30 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-7-oxa-1,3-diazaspiro[4.4]non-2-en-2-amine is sourced from PubChem (CID 79514648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).