2-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-indole-3-carbaldehyde

C19H17NO — CID 42580054

IUPAC2-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-indole-3-carbaldehyde
SMILESO=Cc1c(-c2ccc3c(c2)CCCC3)[nH]c2ccccc12
InChIInChI=1S/C19H17NO/c21-12-17-16-7-3-4-8-18(16)20-19(17)15-10-9-13-5-1-2-6-14(13)11-15/h3-4,7-12,20H,1-2,5-6H2
InChIKeyJQBCYSFEOYJREH-UHFFFAOYSA-N
MW275.35 g/mol
LogP4.53
Rot. Bonds2

About 2-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-indole-3-carbaldehyde

2-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-indole-3-carbaldehyde (PubChem CID 42580054) has the molecular formula C19H17NO and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-indole-3-carbaldehyde.

Molecular Properties

Compound Name2-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-indole-3-carbaldehyde
PubChem CID42580054
Molecular FormulaC19H17NO
Molecular Weight275.35 g/mol
Exact Mass275.13
IUPAC Name2-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-indole-3-carbaldehyde
SMILESO=Cc1c(-c2ccc3c(c2)CCCC3)[nH]c2ccccc12
InChIInChI=1S/C19H17NO/c21-12-17-16-7-3-4-8-18(16)20-19(17)15-10-9-13-5-1-2-6-14(13)11-15/h3-4,7-12,20H,1-2,5-6H2
InChIKeyJQBCYSFEOYJREH-UHFFFAOYSA-N
XLogP4.53
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-indole-3-carbaldehyde?
The IUPAC name of 2-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-indole-3-carbaldehyde (CID 42580054) is 2-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-indole-3-carbaldehyde.
What is the SMILES notation for 2-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-indole-3-carbaldehyde?
The canonical SMILES for 2-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-indole-3-carbaldehyde is O=Cc1c(-c2ccc3c(c2)CCCC3)[nH]c2ccccc12.
What is the InChIKey of 2-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-indole-3-carbaldehyde?
The InChIKey is JQBCYSFEOYJREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO/c21-12-17-16-7-3-4-8-18(16)20-19(17)15-10-9-13-5-1-2-6-14(13)11-15/h3-4,7-12,20H,1-2,5-6H2.
What are the key properties of 2-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-indole-3-carbaldehyde?
2-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-indole-3-carbaldehyde has a molecular weight of 275.35 g/mol, XLogP of 4.53, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-indole-3-carbaldehyde is sourced from PubChem (CID 42580054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).