2-[1-(cyclopropylmethyl)indol-4-yl]acetaldehyde

C14H15NO — CID 115106905

IUPAC2-[1-(cyclopropylmethyl)indol-4-yl]acetaldehyde
SMILESO=CCc1cccc2c1ccn2CC1CC1
InChIInChI=1S/C14H15NO/c16-9-7-12-2-1-3-14-13(12)6-8-15(14)10-11-4-5-11/h1-3,6,8-9,11H,4-5,7,10H2
InChIKeyLIBCBTMHQGCROI-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.79
Rot. Bonds4

About 2-[1-(cyclopropylmethyl)indol-4-yl]acetaldehyde

2-[1-(cyclopropylmethyl)indol-4-yl]acetaldehyde (PubChem CID 115106905) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-[1-(cyclopropylmethyl)indol-4-yl]acetaldehyde.

Molecular Properties

Compound Name2-[1-(cyclopropylmethyl)indol-4-yl]acetaldehyde
PubChem CID115106905
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name2-[1-(cyclopropylmethyl)indol-4-yl]acetaldehyde
SMILESO=CCc1cccc2c1ccn2CC1CC1
InChIInChI=1S/C14H15NO/c16-9-7-12-2-1-3-14-13(12)6-8-15(14)10-11-4-5-11/h1-3,6,8-9,11H,4-5,7,10H2
InChIKeyLIBCBTMHQGCROI-UHFFFAOYSA-N
XLogP2.79
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
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

3-[1-(cyclopropylmethyl)indol-4-yl]propanoic acid
CID 115107009
1-[1-(cyclobutylmethyl)indol-4-yl]propan-2-one
CID 115106908
3-[1-(cyclopentylmethyl)indol-4-yl]propan-1-amine
CID 115106970
1-[1-(cyclobutylmethyl)indol-4-yl]propan-2-ol
CID 115106892
1-(cyclopropylmethyl)-4-ethoxyindole
CID 83173607
1-(cyclohexylmethyl)indole-4-carboxylic acid
CID 43316618
[1-(2-cyclopropylethyl)indol-4-yl]methanamine
CID 107919256
1-(cyclopropylmethyl)-4-phenylmethoxyindole
CID 69006016
1-(oxan-4-ylmethyl)indole-4-carboxylic acid
CID 62385888
2-[1-(cyclopentylmethyl)indol-4-yl]propan-1-ol
CID 117118984
2-[1-(cyclobutylmethyl)indol-4-yl]propan-1-ol
CID 117118879
[1-(hydroxymethyl)indol-4-yl]methanol
CID 129249901

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclopropylmethyl)indol-4-yl]acetaldehyde?
The IUPAC name of 2-[1-(cyclopropylmethyl)indol-4-yl]acetaldehyde (CID 115106905) is 2-[1-(cyclopropylmethyl)indol-4-yl]acetaldehyde.
What is the SMILES notation for 2-[1-(cyclopropylmethyl)indol-4-yl]acetaldehyde?
The canonical SMILES for 2-[1-(cyclopropylmethyl)indol-4-yl]acetaldehyde is O=CCc1cccc2c1ccn2CC1CC1.
What is the InChIKey of 2-[1-(cyclopropylmethyl)indol-4-yl]acetaldehyde?
The InChIKey is LIBCBTMHQGCROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO/c16-9-7-12-2-1-3-14-13(12)6-8-15(14)10-11-4-5-11/h1-3,6,8-9,11H,4-5,7,10H2.
What are the key properties of 2-[1-(cyclopropylmethyl)indol-4-yl]acetaldehyde?
2-[1-(cyclopropylmethyl)indol-4-yl]acetaldehyde has a molecular weight of 213.28 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclopropylmethyl)indol-4-yl]acetaldehyde is sourced from PubChem (CID 115106905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).