1-(cyclopropylmethyl)-2,3-dihydroindole-6-carbaldehyde

C13H15NO — CID 115105849

IUPAC1-(cyclopropylmethyl)-2,3-dihydroindole-6-carbaldehyde
SMILESO=Cc1ccc2c(c1)N(CC1CC1)CC2
InChIInChI=1S/C13H15NO/c15-9-11-3-4-12-5-6-14(13(12)7-11)8-10-1-2-10/h3-4,7,9-10H,1-2,5-6,8H2
InChIKeyLUUICVISMYFCJC-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.27
Rot. Bonds3

About 1-(cyclopropylmethyl)-2,3-dihydroindole-6-carbaldehyde

1-(cyclopropylmethyl)-2,3-dihydroindole-6-carbaldehyde (PubChem CID 115105849) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-2,3-dihydroindole-6-carbaldehyde.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-2,3-dihydroindole-6-carbaldehyde
PubChem CID115105849
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name1-(cyclopropylmethyl)-2,3-dihydroindole-6-carbaldehyde
SMILESO=Cc1ccc2c(c1)N(CC1CC1)CC2
InChIInChI=1S/C13H15NO/c15-9-11-3-4-12-5-6-14(13(12)7-11)8-10-1-2-10/h3-4,7,9-10H,1-2,5-6,8H2
InChIKeyLUUICVISMYFCJC-UHFFFAOYSA-N
XLogP2.27
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.27
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-(cyclopropylmethyl)-2,3-dihydroindole-6-carbaldehyde?
The IUPAC name of 1-(cyclopropylmethyl)-2,3-dihydroindole-6-carbaldehyde (CID 115105849) is 1-(cyclopropylmethyl)-2,3-dihydroindole-6-carbaldehyde.
What is the SMILES notation for 1-(cyclopropylmethyl)-2,3-dihydroindole-6-carbaldehyde?
The canonical SMILES for 1-(cyclopropylmethyl)-2,3-dihydroindole-6-carbaldehyde is O=Cc1ccc2c(c1)N(CC1CC1)CC2.
What is the InChIKey of 1-(cyclopropylmethyl)-2,3-dihydroindole-6-carbaldehyde?
The InChIKey is LUUICVISMYFCJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c15-9-11-3-4-12-5-6-14(13(12)7-11)8-10-1-2-10/h3-4,7,9-10H,1-2,5-6,8H2.
What are the key properties of 1-(cyclopropylmethyl)-2,3-dihydroindole-6-carbaldehyde?
1-(cyclopropylmethyl)-2,3-dihydroindole-6-carbaldehyde has a molecular weight of 201.27 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-2,3-dihydroindole-6-carbaldehyde is sourced from PubChem (CID 115105849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).