2-(3-methoxy-3-methylbutyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol

C15H25NO2 — CID 103034936

IUPAC2-(3-methoxy-3-methylbutyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol
SMILESCOC(C)(C)CCn1cc2c(c1)C(O)CCCC2
InChIInChI=1S/C15H25NO2/c1-15(2,18-3)8-9-16-10-12-6-4-5-7-14(17)13(12)11-16/h10-11,14,17H,4-9H2,1-3H3
InChIKeyIZVDTAWQRVHJIU-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.06
Rot. Bonds4

About 2-(3-methoxy-3-methylbutyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol

2-(3-methoxy-3-methylbutyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol (PubChem CID 103034936) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-(3-methoxy-3-methylbutyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol.

Molecular Properties

Compound Name2-(3-methoxy-3-methylbutyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol
PubChem CID103034936
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name2-(3-methoxy-3-methylbutyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol
SMILESCOC(C)(C)CCn1cc2c(c1)C(O)CCCC2
InChIInChI=1S/C15H25NO2/c1-15(2,18-3)8-9-16-10-12-6-4-5-7-14(17)13(12)11-16/h10-11,14,17H,4-9H2,1-3H3
InChIKeyIZVDTAWQRVHJIU-UHFFFAOYSA-N
XLogP3.06
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-3-methylbutyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol?
The IUPAC name of 2-(3-methoxy-3-methylbutyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol (CID 103034936) is 2-(3-methoxy-3-methylbutyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol.
What is the SMILES notation for 2-(3-methoxy-3-methylbutyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol?
The canonical SMILES for 2-(3-methoxy-3-methylbutyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol is COC(C)(C)CCn1cc2c(c1)C(O)CCCC2.
What is the InChIKey of 2-(3-methoxy-3-methylbutyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol?
The InChIKey is IZVDTAWQRVHJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-15(2,18-3)8-9-16-10-12-6-4-5-7-14(17)13(12)11-16/h10-11,14,17H,4-9H2,1-3H3.
What are the key properties of 2-(3-methoxy-3-methylbutyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol?
2-(3-methoxy-3-methylbutyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol has a molecular weight of 251.37 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-3-methylbutyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol is sourced from PubChem (CID 103034936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).