4a,5-dimethyl-2,3,5,5a,6,6a-hexahydro-1H-cyclopropa[f]indol-2-ol

C11H17NO — CID 163606195

IUPAC4a,5-dimethyl-2,3,5,5a,6,6a-hexahydro-1H-cyclopropa[f]indol-2-ol
SMILESCC1C2CC3NC(O)CC3=CC12C
InChIInChI=1S/C11H17NO/c1-6-8-4-9-7(3-10(13)12-9)5-11(6,8)2/h5-6,8-10,12-13H,3-4H2,1-2H3
InChIKeyHBZZMDNAQMZGJB-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.27
Rot. Bonds

About 4a,5-dimethyl-2,3,5,5a,6,6a-hexahydro-1H-cyclopropa[f]indol-2-ol

4a,5-dimethyl-2,3,5,5a,6,6a-hexahydro-1H-cyclopropa[f]indol-2-ol (PubChem CID 163606195) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 4a,5-dimethyl-2,3,5,5a,6,6a-hexahydro-1H-cyclopropa[f]indol-2-ol.

Molecular Properties

Compound Name4a,5-dimethyl-2,3,5,5a,6,6a-hexahydro-1H-cyclopropa[f]indol-2-ol
PubChem CID163606195
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name4a,5-dimethyl-2,3,5,5a,6,6a-hexahydro-1H-cyclopropa[f]indol-2-ol
SMILESCC1C2CC3NC(O)CC3=CC12C
InChIInChI=1S/C11H17NO/c1-6-8-4-9-7(3-10(13)12-9)5-11(6,8)2/h5-6,8-10,12-13H,3-4H2,1-2H3
InChIKeyHBZZMDNAQMZGJB-UHFFFAOYSA-N
XLogP1.27
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4a,5-dimethyl-2,3,5,5a,6,6a-hexahydro-1H-cyclopropa[f]indol-2-ol?
The IUPAC name of 4a,5-dimethyl-2,3,5,5a,6,6a-hexahydro-1H-cyclopropa[f]indol-2-ol (CID 163606195) is 4a,5-dimethyl-2,3,5,5a,6,6a-hexahydro-1H-cyclopropa[f]indol-2-ol.
What is the SMILES notation for 4a,5-dimethyl-2,3,5,5a,6,6a-hexahydro-1H-cyclopropa[f]indol-2-ol?
The canonical SMILES for 4a,5-dimethyl-2,3,5,5a,6,6a-hexahydro-1H-cyclopropa[f]indol-2-ol is CC1C2CC3NC(O)CC3=CC12C.
What is the InChIKey of 4a,5-dimethyl-2,3,5,5a,6,6a-hexahydro-1H-cyclopropa[f]indol-2-ol?
The InChIKey is HBZZMDNAQMZGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-6-8-4-9-7(3-10(13)12-9)5-11(6,8)2/h5-6,8-10,12-13H,3-4H2,1-2H3.
What are the key properties of 4a,5-dimethyl-2,3,5,5a,6,6a-hexahydro-1H-cyclopropa[f]indol-2-ol?
4a,5-dimethyl-2,3,5,5a,6,6a-hexahydro-1H-cyclopropa[f]indol-2-ol has a molecular weight of 179.26 g/mol, XLogP of 1.27, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4a,5-dimethyl-2,3,5,5a,6,6a-hexahydro-1H-cyclopropa[f]indol-2-ol is sourced from PubChem (CID 163606195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).