2-ethyl-1,3-dihydroisoindole-5-carbaldehyde

C11H13NO — CID 84717608

IUPAC2-ethyl-1,3-dihydroisoindole-5-carbaldehyde
SMILESCCN1Cc2ccc(C=O)cc2C1
InChIInChI=1S/C11H13NO/c1-2-12-6-10-4-3-9(8-13)5-11(10)7-12/h3-5,8H,2,6-7H2,1H3
InChIKeyJYFYTNFODQVWRV-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.83
Rot. Bonds2

About 2-ethyl-1,3-dihydroisoindole-5-carbaldehyde

2-ethyl-1,3-dihydroisoindole-5-carbaldehyde (PubChem CID 84717608) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 2-ethyl-1,3-dihydroisoindole-5-carbaldehyde.

Molecular Properties

Compound Name2-ethyl-1,3-dihydroisoindole-5-carbaldehyde
PubChem CID84717608
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name2-ethyl-1,3-dihydroisoindole-5-carbaldehyde
SMILESCCN1Cc2ccc(C=O)cc2C1
InChIInChI=1S/C11H13NO/c1-2-12-6-10-4-3-9(8-13)5-11(10)7-12/h3-5,8H,2,6-7H2,1H3
InChIKeyJYFYTNFODQVWRV-UHFFFAOYSA-N
XLogP1.83
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.83
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

tricyclo[10.4.0.04,9]hexadeca-1(16),4(9),5,7,12,14-hexaene-6-carbaldehyde
CID 101344698
1-ethyl-2-oxo-3,4-dihydroquinoline-7-carbaldehyde
CID 145488236
2-ethyl-1,3-dihydroisoindole-5-sulfonyl chloride
CID 84802969
2-ethyl-1,3-dihydroisoindole-5,6-diol
CID 22365543
2-acetyl-3,4-dihydro-1H-isoquinoline-6-carbaldehyde
CID 53302222
1-methyl-2-oxo-3,4-dihydroquinoline-7-carbaldehyde
CID 83483627
2-trityl-3,4-dihydro-1H-isoquinoline-6-carbaldehyde
CID 165406280
2,5-diethyl-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carbaldehyde
CID 172623322
2-(dipropylamino)-2,3-dihydro-1H-indene-5-carbaldehyde
CID 19710217
5-chloro-2-propyl-1,3-dihydroisoindole
CID 178136762
4-(1,3-dihydroisoindol-2-yl)-3-methoxybenzaldehyde
CID 122625900
4-(4-ethylpiperazin-1-yl)-3-nitrobenzaldehyde
CID 39118723

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1,3-dihydroisoindole-5-carbaldehyde?
The IUPAC name of 2-ethyl-1,3-dihydroisoindole-5-carbaldehyde (CID 84717608) is 2-ethyl-1,3-dihydroisoindole-5-carbaldehyde.
What is the SMILES notation for 2-ethyl-1,3-dihydroisoindole-5-carbaldehyde?
The canonical SMILES for 2-ethyl-1,3-dihydroisoindole-5-carbaldehyde is CCN1Cc2ccc(C=O)cc2C1.
What is the InChIKey of 2-ethyl-1,3-dihydroisoindole-5-carbaldehyde?
The InChIKey is JYFYTNFODQVWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-2-12-6-10-4-3-9(8-13)5-11(10)7-12/h3-5,8H,2,6-7H2,1H3.
What are the key properties of 2-ethyl-1,3-dihydroisoindole-5-carbaldehyde?
2-ethyl-1,3-dihydroisoindole-5-carbaldehyde has a molecular weight of 175.23 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1,3-dihydroisoindole-5-carbaldehyde is sourced from PubChem (CID 84717608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).