1-cyclopropylindole-2-carbaldehyde

C12H11NO — CID 115016882

IUPAC1-cyclopropylindole-2-carbaldehyde
SMILESO=Cc1cc2ccccc2n1C1CC1
InChIInChI=1S/C12H11NO/c14-8-11-7-9-3-1-2-4-12(9)13(11)10-5-6-10/h1-4,7-8,10H,5-6H2
InChIKeyGSOFBORAZUEHIX-UHFFFAOYSA-N
MW185.23 g/mol
LogP2.79
Rot. Bonds2

About 1-cyclopropylindole-2-carbaldehyde

1-cyclopropylindole-2-carbaldehyde (PubChem CID 115016882) has the molecular formula C12H11NO and a molecular weight of 185.23 g/mol. Its IUPAC name is 1-cyclopropylindole-2-carbaldehyde.

Molecular Properties

Compound Name1-cyclopropylindole-2-carbaldehyde
PubChem CID115016882
Molecular FormulaC12H11NO
Molecular Weight185.23 g/mol
Exact Mass185.08
IUPAC Name1-cyclopropylindole-2-carbaldehyde
SMILESO=Cc1cc2ccccc2n1C1CC1
InChIInChI=1S/C12H11NO/c14-8-11-7-9-3-1-2-4-12(9)13(11)10-5-6-10/h1-4,7-8,10H,5-6H2
InChIKeyGSOFBORAZUEHIX-UHFFFAOYSA-N
XLogP2.79
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopropyl-2-phenylindole
CID 162400669
1-(1-cyclobutylindol-2-yl)ethanone
CID 115115292
1-cyclopropylbenzimidazole-2-carbaldehyde;hydrate;hydrochloride
CID 86624645
1-(trifluoromethoxy)indole-2-carbaldehyde
CID 154019793
1-(furan-2-yl)indole-2-carbaldehyde
CID 139887499
1-(methoxymethoxy)indole-2-carbaldehyde
CID 10856622
1-(4-methoxyphenyl)indole-2-carbaldehyde
CID 139887469
2-(1-cyclopentylindol-2-yl)ethanamine
CID 115115551
(1-cyclopentylindol-2-yl)-triethylsilane
CID 167452813
1-[2-(cyclohexen-1-yl)ethyl]indole-2-carbaldehyde
CID 71368514
4-bromo-1-cyclopropyl-5-ethylpyrrole-2-carbaldehyde
CID 100589133
1-cyclopropyl-5-ethylpyrrole-2-carbaldehyde
CID 100588441

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylindole-2-carbaldehyde?
The IUPAC name of 1-cyclopropylindole-2-carbaldehyde (CID 115016882) is 1-cyclopropylindole-2-carbaldehyde.
What is the SMILES notation for 1-cyclopropylindole-2-carbaldehyde?
The canonical SMILES for 1-cyclopropylindole-2-carbaldehyde is O=Cc1cc2ccccc2n1C1CC1.
What is the InChIKey of 1-cyclopropylindole-2-carbaldehyde?
The InChIKey is GSOFBORAZUEHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO/c14-8-11-7-9-3-1-2-4-12(9)13(11)10-5-6-10/h1-4,7-8,10H,5-6H2.
What are the key properties of 1-cyclopropylindole-2-carbaldehyde?
1-cyclopropylindole-2-carbaldehyde has a molecular weight of 185.23 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylindole-2-carbaldehyde is sourced from PubChem (CID 115016882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).