2-cyclopropyl-6,7-dimethyl-1H-indole-3-carbaldehyde

C14H15NO — CID 123834860

IUPAC2-cyclopropyl-6,7-dimethyl-1H-indole-3-carbaldehyde
SMILESCc1ccc2c(C=O)c(C3CC3)[nH]c2c1C
InChIInChI=1S/C14H15NO/c1-8-3-6-11-12(7-16)14(10-4-5-10)15-13(11)9(8)2/h3,6-7,10,15H,4-5H2,1-2H3
InChIKeySFRWCKSRVLJEIG-UHFFFAOYSA-N
MW213.28 g/mol
LogP3.47
Rot. Bonds2

About 2-cyclopropyl-6,7-dimethyl-1H-indole-3-carbaldehyde

2-cyclopropyl-6,7-dimethyl-1H-indole-3-carbaldehyde (PubChem CID 123834860) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-cyclopropyl-6,7-dimethyl-1H-indole-3-carbaldehyde.

Molecular Properties

Compound Name2-cyclopropyl-6,7-dimethyl-1H-indole-3-carbaldehyde
PubChem CID123834860
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name2-cyclopropyl-6,7-dimethyl-1H-indole-3-carbaldehyde
SMILESCc1ccc2c(C=O)c(C3CC3)[nH]c2c1C
InChIInChI=1S/C14H15NO/c1-8-3-6-11-12(7-16)14(10-4-5-10)15-13(11)9(8)2/h3,6-7,10,15H,4-5H2,1-2H3
InChIKeySFRWCKSRVLJEIG-UHFFFAOYSA-N
XLogP3.47
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 53.47
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-cyclopropyl-6,7-dimethyl-1H-indole-3-carbaldehyde?
The IUPAC name of 2-cyclopropyl-6,7-dimethyl-1H-indole-3-carbaldehyde (CID 123834860) is 2-cyclopropyl-6,7-dimethyl-1H-indole-3-carbaldehyde.
What is the SMILES notation for 2-cyclopropyl-6,7-dimethyl-1H-indole-3-carbaldehyde?
The canonical SMILES for 2-cyclopropyl-6,7-dimethyl-1H-indole-3-carbaldehyde is Cc1ccc2c(C=O)c(C3CC3)[nH]c2c1C.
What is the InChIKey of 2-cyclopropyl-6,7-dimethyl-1H-indole-3-carbaldehyde?
The InChIKey is SFRWCKSRVLJEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO/c1-8-3-6-11-12(7-16)14(10-4-5-10)15-13(11)9(8)2/h3,6-7,10,15H,4-5H2,1-2H3.
What are the key properties of 2-cyclopropyl-6,7-dimethyl-1H-indole-3-carbaldehyde?
2-cyclopropyl-6,7-dimethyl-1H-indole-3-carbaldehyde has a molecular weight of 213.28 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6,7-dimethyl-1H-indole-3-carbaldehyde is sourced from PubChem (CID 123834860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).