2-hydroxy-1,1,3,3,6,6-hexamethylcyclohepta[c]pyrrole

C15H23NO — CID 71214120

IUPAC2-hydroxy-1,1,3,3,6,6-hexamethylcyclohepta[c]pyrrole
SMILESCC1(C)C=CC2=C(C=C1)C(C)(C)N(O)C2(C)C
InChIInChI=1S/C15H23NO/c1-13(2)9-7-11-12(8-10-13)15(5,6)16(17)14(11,3)4/h7-10,17H,1-6H3
InChIKeyRKLPZJLBNSVDNL-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.70
Rot. Bonds

About 2-hydroxy-1,1,3,3,6,6-hexamethylcyclohepta[c]pyrrole

2-hydroxy-1,1,3,3,6,6-hexamethylcyclohepta[c]pyrrole (PubChem CID 71214120) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 2-hydroxy-1,1,3,3,6,6-hexamethylcyclohepta[c]pyrrole.

Molecular Properties

Compound Name2-hydroxy-1,1,3,3,6,6-hexamethylcyclohepta[c]pyrrole
PubChem CID71214120
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name2-hydroxy-1,1,3,3,6,6-hexamethylcyclohepta[c]pyrrole
SMILESCC1(C)C=CC2=C(C=C1)C(C)(C)N(O)C2(C)C
InChIInChI=1S/C15H23NO/c1-13(2)9-7-11-12(8-10-13)15(5,6)16(17)14(11,3)4/h7-10,17H,1-6H3
InChIKeyRKLPZJLBNSVDNL-UHFFFAOYSA-N
XLogP3.70
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1,1,3,3,6,6-hexamethylcyclohepta[c]pyrrole?
The IUPAC name of 2-hydroxy-1,1,3,3,6,6-hexamethylcyclohepta[c]pyrrole (CID 71214120) is 2-hydroxy-1,1,3,3,6,6-hexamethylcyclohepta[c]pyrrole.
What is the SMILES notation for 2-hydroxy-1,1,3,3,6,6-hexamethylcyclohepta[c]pyrrole?
The canonical SMILES for 2-hydroxy-1,1,3,3,6,6-hexamethylcyclohepta[c]pyrrole is CC1(C)C=CC2=C(C=C1)C(C)(C)N(O)C2(C)C.
What is the InChIKey of 2-hydroxy-1,1,3,3,6,6-hexamethylcyclohepta[c]pyrrole?
The InChIKey is RKLPZJLBNSVDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-13(2)9-7-11-12(8-10-13)15(5,6)16(17)14(11,3)4/h7-10,17H,1-6H3.
What are the key properties of 2-hydroxy-1,1,3,3,6,6-hexamethylcyclohepta[c]pyrrole?
2-hydroxy-1,1,3,3,6,6-hexamethylcyclohepta[c]pyrrole has a molecular weight of 233.35 g/mol, XLogP of 3.70, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1,1,3,3,6,6-hexamethylcyclohepta[c]pyrrole is sourced from PubChem (CID 71214120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).