2-ethoxy-7-[(1-methylpyrrol-2-yl)methyl]-7-azaspiro[3.5]nonane

C16H26N2O — CID 97451226

IUPAC2-ethoxy-7-[(1-methylpyrrol-2-yl)methyl]-7-azaspiro[3.5]nonane
SMILESCCOC1CC2(CCN(Cc3cccn3C)CC2)C1
InChIInChI=1S/C16H26N2O/c1-3-19-15-11-16(12-15)6-9-18(10-7-16)13-14-5-4-8-17(14)2/h4-5,8,15H,3,6-7,9-13H2,1-2H3
InChIKeyYGTPAESZRWSSLF-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.81
Rot. Bonds4

About 2-ethoxy-7-[(1-methylpyrrol-2-yl)methyl]-7-azaspiro[3.5]nonane

2-ethoxy-7-[(1-methylpyrrol-2-yl)methyl]-7-azaspiro[3.5]nonane (PubChem CID 97451226) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-ethoxy-7-[(1-methylpyrrol-2-yl)methyl]-7-azaspiro[3.5]nonane.

Molecular Properties

Compound Name2-ethoxy-7-[(1-methylpyrrol-2-yl)methyl]-7-azaspiro[3.5]nonane
PubChem CID97451226
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-ethoxy-7-[(1-methylpyrrol-2-yl)methyl]-7-azaspiro[3.5]nonane
SMILESCCOC1CC2(CCN(Cc3cccn3C)CC2)C1
InChIInChI=1S/C16H26N2O/c1-3-19-15-11-16(12-15)6-9-18(10-7-16)13-14-5-4-8-17(14)2/h4-5,8,15H,3,6-7,9-13H2,1-2H3
InChIKeyYGTPAESZRWSSLF-UHFFFAOYSA-N
XLogP2.81
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-7-[(1-methylpyrrol-2-yl)methyl]-7-azaspiro[3.5]nonane?
The IUPAC name of 2-ethoxy-7-[(1-methylpyrrol-2-yl)methyl]-7-azaspiro[3.5]nonane (CID 97451226) is 2-ethoxy-7-[(1-methylpyrrol-2-yl)methyl]-7-azaspiro[3.5]nonane.
What is the SMILES notation for 2-ethoxy-7-[(1-methylpyrrol-2-yl)methyl]-7-azaspiro[3.5]nonane?
The canonical SMILES for 2-ethoxy-7-[(1-methylpyrrol-2-yl)methyl]-7-azaspiro[3.5]nonane is CCOC1CC2(CCN(Cc3cccn3C)CC2)C1.
What is the InChIKey of 2-ethoxy-7-[(1-methylpyrrol-2-yl)methyl]-7-azaspiro[3.5]nonane?
The InChIKey is YGTPAESZRWSSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-3-19-15-11-16(12-15)6-9-18(10-7-16)13-14-5-4-8-17(14)2/h4-5,8,15H,3,6-7,9-13H2,1-2H3.
What are the key properties of 2-ethoxy-7-[(1-methylpyrrol-2-yl)methyl]-7-azaspiro[3.5]nonane?
2-ethoxy-7-[(1-methylpyrrol-2-yl)methyl]-7-azaspiro[3.5]nonane has a molecular weight of 262.40 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-7-[(1-methylpyrrol-2-yl)methyl]-7-azaspiro[3.5]nonane is sourced from PubChem (CID 97451226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).