1-(1-benzylindol-3-yl)-2,2,3,3-tetramethylcyclopropane-1-carbaldehyde

C23H25NO — CID 87851298

IUPAC1-(1-benzylindol-3-yl)-2,2,3,3-tetramethylcyclopropane-1-carbaldehyde
SMILESCC1(C)C(C)(C)C1(C=O)c1cn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C23H25NO/c1-21(2)22(3,4)23(21,16-25)19-15-24(14-17-10-6-5-7-11-17)20-13-9-8-12-18(19)20/h5-13,15-16H,14H2,1-4H3
InChIKeyFXUBCXWCYKCCTN-UHFFFAOYSA-N
MW331.46 g/mol
LogP5.19
Rot. Bonds4

About 1-(1-benzylindol-3-yl)-2,2,3,3-tetramethylcyclopropane-1-carbaldehyde

1-(1-benzylindol-3-yl)-2,2,3,3-tetramethylcyclopropane-1-carbaldehyde (PubChem CID 87851298) has the molecular formula C23H25NO and a molecular weight of 331.46 g/mol. Its IUPAC name is 1-(1-benzylindol-3-yl)-2,2,3,3-tetramethylcyclopropane-1-carbaldehyde.

Molecular Properties

Compound Name1-(1-benzylindol-3-yl)-2,2,3,3-tetramethylcyclopropane-1-carbaldehyde
PubChem CID87851298
Molecular FormulaC23H25NO
Molecular Weight331.46 g/mol
Exact Mass331.19
IUPAC Name1-(1-benzylindol-3-yl)-2,2,3,3-tetramethylcyclopropane-1-carbaldehyde
SMILESCC1(C)C(C)(C)C1(C=O)c1cn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C23H25NO/c1-21(2)22(3,4)23(21,16-25)19-15-24(14-17-10-6-5-7-11-17)20-13-9-8-12-18(19)20/h5-13,15-16H,14H2,1-4H3
InChIKeyFXUBCXWCYKCCTN-UHFFFAOYSA-N
XLogP5.19
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.46
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylindol-3-yl)-2,2,3,3-tetramethylcyclopropane-1-carbaldehyde?
The IUPAC name of 1-(1-benzylindol-3-yl)-2,2,3,3-tetramethylcyclopropane-1-carbaldehyde (CID 87851298) is 1-(1-benzylindol-3-yl)-2,2,3,3-tetramethylcyclopropane-1-carbaldehyde.
What is the SMILES notation for 1-(1-benzylindol-3-yl)-2,2,3,3-tetramethylcyclopropane-1-carbaldehyde?
The canonical SMILES for 1-(1-benzylindol-3-yl)-2,2,3,3-tetramethylcyclopropane-1-carbaldehyde is CC1(C)C(C)(C)C1(C=O)c1cn(Cc2ccccc2)c2ccccc12.
What is the InChIKey of 1-(1-benzylindol-3-yl)-2,2,3,3-tetramethylcyclopropane-1-carbaldehyde?
The InChIKey is FXUBCXWCYKCCTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO/c1-21(2)22(3,4)23(21,16-25)19-15-24(14-17-10-6-5-7-11-17)20-13-9-8-12-18(19)20/h5-13,15-16H,14H2,1-4H3.
What are the key properties of 1-(1-benzylindol-3-yl)-2,2,3,3-tetramethylcyclopropane-1-carbaldehyde?
1-(1-benzylindol-3-yl)-2,2,3,3-tetramethylcyclopropane-1-carbaldehyde has a molecular weight of 331.46 g/mol, XLogP of 5.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylindol-3-yl)-2,2,3,3-tetramethylcyclopropane-1-carbaldehyde is sourced from PubChem (CID 87851298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).