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

C17H22N2O2 — CID 83211745

IUPAC2-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol
SMILESCOc1cc(C)nc(Cn2cc3c(c2)C(O)CCCC3)c1
InChIInChI=1S/C17H22N2O2/c1-12-7-15(21-2)8-14(18-12)10-19-9-13-5-3-4-6-17(20)16(13)11-19/h7-9,11,17,20H,3-6,10H2,1-2H3
InChIKeyUHNSNEUSKSSNEQ-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.01
Rot. Bonds3

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

2-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol (PubChem CID 83211745) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol.

Molecular Properties

Compound Name2-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol
PubChem CID83211745
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name2-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol
SMILESCOc1cc(C)nc(Cn2cc3c(c2)C(O)CCCC3)c1
InChIInChI=1S/C17H22N2O2/c1-12-7-15(21-2)8-14(18-12)10-19-9-13-5-3-4-6-17(20)16(13)11-19/h7-9,11,17,20H,3-6,10H2,1-2H3
InChIKeyUHNSNEUSKSSNEQ-UHFFFAOYSA-N
XLogP3.01
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol?
The IUPAC name of 2-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol (CID 83211745) is 2-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol.
What is the SMILES notation for 2-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol?
The canonical SMILES for 2-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol is COc1cc(C)nc(Cn2cc3c(c2)C(O)CCCC3)c1.
What is the InChIKey of 2-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol?
The InChIKey is UHNSNEUSKSSNEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-12-7-15(21-2)8-14(18-12)10-19-9-13-5-3-4-6-17(20)16(13)11-19/h7-9,11,17,20H,3-6,10H2,1-2H3.
What are the key properties of 2-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol?
2-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol has a molecular weight of 286.38 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol is sourced from PubChem (CID 83211745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).