5-methyl-3a,7a-dihydro-1H-indol-7-ol;propane

C12H19NO — CID 143778580

IUPAC5-methyl-3a,7a-dihydro-1H-indol-7-ol;propane
SMILESCC1=CC2C=CNC2C(O)=C1.CCC
InChIInChI=1S/C9H11NO.C3H8/c1-6-4-7-2-3-10-9(7)8(11)5-6;1-3-2/h2-5,7,9-11H,1H3;3H2,1-2H3
InChIKeyVZFNUSYWDVEKFY-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.91
Rot. Bonds

About 5-methyl-3a,7a-dihydro-1H-indol-7-ol;propane

5-methyl-3a,7a-dihydro-1H-indol-7-ol;propane (PubChem CID 143778580) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 5-methyl-3a,7a-dihydro-1H-indol-7-ol;propane.

Molecular Properties

Compound Name5-methyl-3a,7a-dihydro-1H-indol-7-ol;propane
PubChem CID143778580
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name5-methyl-3a,7a-dihydro-1H-indol-7-ol;propane
SMILESCC1=CC2C=CNC2C(O)=C1.CCC
InChIInChI=1S/C9H11NO.C3H8/c1-6-4-7-2-3-10-9(7)8(11)5-6;1-3-2/h2-5,7,9-11H,1H3;3H2,1-2H3
InChIKeyVZFNUSYWDVEKFY-UHFFFAOYSA-N
XLogP2.91
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-ethyl-3a,7a-dihydro-1H-indol-6-ol
CID 68345621
5-ethyl-3a,7a-dihydro-1H-indol-7-ol
CID 68345622
2-Ethyl-1,2-dihydropyridin-3-ol
CID 70065292
5-tert-butyl-3a,7a-dihydro-1H-indol-6-ol
CID 89199090
5-methyl-3a,7a-dihydro-1H-indol-7-ol
CID 143778533
5-methyl-3a,7a-dihydro-1H-indol-6-ol;propane
CID 143778564
5-methyl-3a,7a-dihydro-1H-indol-6-ol
CID 143778565
3a,7a-dihydro-1H-indol-4-ol
CID 146475746
5-chloro-3a,7a-dihydro-1H-indol-4-ol
CID 146475825
2-(1,2-Dihydropyridin-2-yl)propan-2-ol
CID 148824024
2-(4-Ethyl-1,2-dihydropyridin-2-yl)propan-2-ol
CID 155201098
Ethane;2-(4-ethyl-1,2-dihydropyridin-2-yl)propan-2-ol
CID 155709660

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3a,7a-dihydro-1H-indol-7-ol;propane?
The IUPAC name of 5-methyl-3a,7a-dihydro-1H-indol-7-ol;propane (CID 143778580) is 5-methyl-3a,7a-dihydro-1H-indol-7-ol;propane.
What is the SMILES notation for 5-methyl-3a,7a-dihydro-1H-indol-7-ol;propane?
The canonical SMILES for 5-methyl-3a,7a-dihydro-1H-indol-7-ol;propane is CC1=CC2C=CNC2C(O)=C1.CCC.
What is the InChIKey of 5-methyl-3a,7a-dihydro-1H-indol-7-ol;propane?
The InChIKey is VZFNUSYWDVEKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO.C3H8/c1-6-4-7-2-3-10-9(7)8(11)5-6;1-3-2/h2-5,7,9-11H,1H3;3H2,1-2H3.
What are the key properties of 5-methyl-3a,7a-dihydro-1H-indol-7-ol;propane?
5-methyl-3a,7a-dihydro-1H-indol-7-ol;propane has a molecular weight of 193.29 g/mol, XLogP of 2.91, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3a,7a-dihydro-1H-indol-7-ol;propane is sourced from PubChem (CID 143778580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).