N-(4-formyl-3,5-dihydro-1H-benzo[cd]indol-4-yl)acetamide

C14H14N2O2 — CID 102583411

IUPACN-(4-formyl-3,5-dihydro-1H-benzo[cd]indol-4-yl)acetamide
SMILESCC(=O)NC1(C=O)Cc2cccc3[nH]cc(c23)C1
InChIInChI=1S/C14H14N2O2/c1-9(18)16-14(8-17)5-10-3-2-4-12-13(10)11(6-14)7-15-12/h2-4,7-8,15H,5-6H2,1H3,(H,16,18)
InChIKeyMDWAOKYTMRUDCT-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.34
Rot. Bonds2

About N-(4-formyl-3,5-dihydro-1H-benzo[cd]indol-4-yl)acetamide

N-(4-formyl-3,5-dihydro-1H-benzo[cd]indol-4-yl)acetamide (PubChem CID 102583411) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is N-(4-formyl-3,5-dihydro-1H-benzo[cd]indol-4-yl)acetamide.

Molecular Properties

Compound NameN-(4-formyl-3,5-dihydro-1H-benzo[cd]indol-4-yl)acetamide
PubChem CID102583411
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC NameN-(4-formyl-3,5-dihydro-1H-benzo[cd]indol-4-yl)acetamide
SMILESCC(=O)NC1(C=O)Cc2cccc3[nH]cc(c23)C1
InChIInChI=1S/C14H14N2O2/c1-9(18)16-14(8-17)5-10-3-2-4-12-13(10)11(6-14)7-15-12/h2-4,7-8,15H,5-6H2,1H3,(H,16,18)
InChIKeyMDWAOKYTMRUDCT-UHFFFAOYSA-N
XLogP1.34
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-formyl-1,3-dihydroinden-2-yl)-2-(1H-indol-3-yl)acetamide
CID 89289825
1,3,4,5-tetrahydrobenzo[cd]indole
CID 13123297
(4R)-1,3,4,5-tetrahydrobenzo[cd]indol-4-ol
CID 124707804
2,6-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene;6-methyl-2,6-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene
CID 178136001
N-[(6aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-yl]acetamide
CID 54536481
N-[(6aR,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]acetamide
CID 57023142
N-[(2S)-2-methyl-1,3-dihydroindol-2-yl]acetamide
CID 97107696
methyl 2-[(6aR,9S,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]acetate
CID 12782970
N'-[[(6aR,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]acetohydrazide
CID 57020678
methyl N-[(4S,5S)-5-[(E)-3-hydroxy-2-methylprop-1-enyl]-1,3,4,5-tetrahydrobenzo[cd]indol-4-yl]carbamate
CID 11044791
N,N-diethyl-3-[methyl(1,3,4,5-tetrahydrobenzo[cd]indol-4-yl)amino]propanamide
CID 163192742
2-(4-iodo-1H-indol-3-yl)-2-oxoacetaldehyde
CID 175236891

Frequently Asked Questions

What is the IUPAC name of N-(4-formyl-3,5-dihydro-1H-benzo[cd]indol-4-yl)acetamide?
The IUPAC name of N-(4-formyl-3,5-dihydro-1H-benzo[cd]indol-4-yl)acetamide (CID 102583411) is N-(4-formyl-3,5-dihydro-1H-benzo[cd]indol-4-yl)acetamide.
What is the SMILES notation for N-(4-formyl-3,5-dihydro-1H-benzo[cd]indol-4-yl)acetamide?
The canonical SMILES for N-(4-formyl-3,5-dihydro-1H-benzo[cd]indol-4-yl)acetamide is CC(=O)NC1(C=O)Cc2cccc3[nH]cc(c23)C1.
What is the InChIKey of N-(4-formyl-3,5-dihydro-1H-benzo[cd]indol-4-yl)acetamide?
The InChIKey is MDWAOKYTMRUDCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-9(18)16-14(8-17)5-10-3-2-4-12-13(10)11(6-14)7-15-12/h2-4,7-8,15H,5-6H2,1H3,(H,16,18).
What are the key properties of N-(4-formyl-3,5-dihydro-1H-benzo[cd]indol-4-yl)acetamide?
N-(4-formyl-3,5-dihydro-1H-benzo[cd]indol-4-yl)acetamide has a molecular weight of 242.28 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-formyl-3,5-dihydro-1H-benzo[cd]indol-4-yl)acetamide is sourced from PubChem (CID 102583411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).