1,2,3,4-tetrahydrocarbazol-4a-ol

C12H13NO — CID 604454

IUPAC1,2,3,4-tetrahydrocarbazol-4a-ol
SMILESOC12CCCCC1=Nc1ccccc12
InChIInChI=1S/C12H13NO/c14-12-8-4-3-7-11(12)13-10-6-2-1-5-9(10)12/h1-2,5-6,14H,3-4,7-8H2
InChIKeyMJRMOJRZUNJPCJ-UHFFFAOYSA-N
MW187.24 g/mol
LogP2.53
Rot. Bonds

About 1,2,3,4-tetrahydrocarbazol-4a-ol

1,2,3,4-tetrahydrocarbazol-4a-ol (PubChem CID 604454) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 1,2,3,4-tetrahydrocarbazol-4a-ol.

Molecular Properties

Compound Name1,2,3,4-tetrahydrocarbazol-4a-ol
PubChem CID604454
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name1,2,3,4-tetrahydrocarbazol-4a-ol
SMILESOC12CCCCC1=Nc1ccccc12
InChIInChI=1S/C12H13NO/c14-12-8-4-3-7-11(12)13-10-6-2-1-5-9(10)12/h1-2,5-6,14H,3-4,7-8H2
InChIKeyMJRMOJRZUNJPCJ-UHFFFAOYSA-N
XLogP2.53
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrahydrocarbazol-4a-ol?
The IUPAC name of 1,2,3,4-tetrahydrocarbazol-4a-ol (CID 604454) is 1,2,3,4-tetrahydrocarbazol-4a-ol.
What is the SMILES notation for 1,2,3,4-tetrahydrocarbazol-4a-ol?
The canonical SMILES for 1,2,3,4-tetrahydrocarbazol-4a-ol is OC12CCCCC1=Nc1ccccc12.
What is the InChIKey of 1,2,3,4-tetrahydrocarbazol-4a-ol?
The InChIKey is MJRMOJRZUNJPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c14-12-8-4-3-7-11(12)13-10-6-2-1-5-9(10)12/h1-2,5-6,14H,3-4,7-8H2.
What are the key properties of 1,2,3,4-tetrahydrocarbazol-4a-ol?
1,2,3,4-tetrahydrocarbazol-4a-ol has a molecular weight of 187.24 g/mol, XLogP of 2.53, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrahydrocarbazol-4a-ol is sourced from PubChem (CID 604454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).