6,7-di(propan-2-yl)-2,3,3a,4,5,7a-hexahydro-1H-indol-5-ol

C14H25NO — CID 90075978

IUPAC6,7-di(propan-2-yl)-2,3,3a,4,5,7a-hexahydro-1H-indol-5-ol
SMILESCC(C)C1=C(C(C)C)C2NCCC2CC1O
InChIInChI=1S/C14H25NO/c1-8(2)12-11(16)7-10-5-6-15-14(10)13(12)9(3)4/h8-11,14-16H,5-7H2,1-4H3
InChIKeyBFGNZJUWAWNBOQ-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.34
Rot. Bonds2

About 6,7-di(propan-2-yl)-2,3,3a,4,5,7a-hexahydro-1H-indol-5-ol

6,7-di(propan-2-yl)-2,3,3a,4,5,7a-hexahydro-1H-indol-5-ol (PubChem CID 90075978) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 6,7-di(propan-2-yl)-2,3,3a,4,5,7a-hexahydro-1H-indol-5-ol.

Molecular Properties

Compound Name6,7-di(propan-2-yl)-2,3,3a,4,5,7a-hexahydro-1H-indol-5-ol
PubChem CID90075978
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name6,7-di(propan-2-yl)-2,3,3a,4,5,7a-hexahydro-1H-indol-5-ol
SMILESCC(C)C1=C(C(C)C)C2NCCC2CC1O
InChIInChI=1S/C14H25NO/c1-8(2)12-11(16)7-10-5-6-15-14(10)13(12)9(3)4/h8-11,14-16H,5-7H2,1-4H3
InChIKeyBFGNZJUWAWNBOQ-UHFFFAOYSA-N
XLogP2.34
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.34
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 6,7-di(propan-2-yl)-2,3,3a,4,5,7a-hexahydro-1H-indol-5-ol?
The IUPAC name of 6,7-di(propan-2-yl)-2,3,3a,4,5,7a-hexahydro-1H-indol-5-ol (CID 90075978) is 6,7-di(propan-2-yl)-2,3,3a,4,5,7a-hexahydro-1H-indol-5-ol.
What is the SMILES notation for 6,7-di(propan-2-yl)-2,3,3a,4,5,7a-hexahydro-1H-indol-5-ol?
The canonical SMILES for 6,7-di(propan-2-yl)-2,3,3a,4,5,7a-hexahydro-1H-indol-5-ol is CC(C)C1=C(C(C)C)C2NCCC2CC1O.
What is the InChIKey of 6,7-di(propan-2-yl)-2,3,3a,4,5,7a-hexahydro-1H-indol-5-ol?
The InChIKey is BFGNZJUWAWNBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-8(2)12-11(16)7-10-5-6-15-14(10)13(12)9(3)4/h8-11,14-16H,5-7H2,1-4H3.
What are the key properties of 6,7-di(propan-2-yl)-2,3,3a,4,5,7a-hexahydro-1H-indol-5-ol?
6,7-di(propan-2-yl)-2,3,3a,4,5,7a-hexahydro-1H-indol-5-ol has a molecular weight of 223.36 g/mol, XLogP of 2.34, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-di(propan-2-yl)-2,3,3a,4,5,7a-hexahydro-1H-indol-5-ol is sourced from PubChem (CID 90075978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).