N-[(3-formyl-1H-indol-5-yl)methyl]acetamide

C12H12N2O2 — CID 22139326

IUPACN-[(3-formyl-1H-indol-5-yl)methyl]acetamide
SMILESCC(=O)NCc1ccc2[nH]cc(C=O)c2c1
InChIInChI=1S/C12H12N2O2/c1-8(16)13-5-9-2-3-12-11(4-9)10(7-15)6-14-12/h2-4,6-7,14H,5H2,1H3,(H,13,16)
InChIKeyBGPZHAUHCUXGPO-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.62
Rot. Bonds3

About N-[(3-formyl-1H-indol-5-yl)methyl]acetamide

N-[(3-formyl-1H-indol-5-yl)methyl]acetamide (PubChem CID 22139326) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is N-[(3-formyl-1H-indol-5-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(3-formyl-1H-indol-5-yl)methyl]acetamide
PubChem CID22139326
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC NameN-[(3-formyl-1H-indol-5-yl)methyl]acetamide
SMILESCC(=O)NCc1ccc2[nH]cc(C=O)c2c1
InChIInChI=1S/C12H12N2O2/c1-8(16)13-5-9-2-3-12-11(4-9)10(7-15)6-14-12/h2-4,6-7,14H,5H2,1H3,(H,13,16)
InChIKeyBGPZHAUHCUXGPO-UHFFFAOYSA-N
XLogP1.62
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.62
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

5-(fluoromethyl)-1H-indole-3-carbaldehyde
CID 163735426
3-(3-formyl-1H-indol-5-yl)propyl acetate
CID 90302364
5-(2,2,2-trifluoroethyl)-1H-indole-3-carbaldehyde
CID 96602958
N-[(2,3-dimethyl-1H-indol-5-yl)methyl]acetamide
CID 26390650
5-[4-(2,2,2-trifluoroethyl)phenyl]-1H-indole-3-carbaldehyde
CID 123253866
2-[4-(acetamidomethyl)phenyl]-N-[2-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]ethyl]acetamide
CID 14180996
6-[(2-methoxyethylamino)methyl]-1H-indole-3-carbaldehyde
CID 22139320
N-[(5-methoxy-1H-indol-3-yl)methyl]acetamide
CID 71554009
N-[[3,5-bis(acetamidomethyl)phenyl]methyl]acetamide
CID 70538979
3-(3-formyl-1H-indol-5-yl)benzoic acid
CID 4186391
N-(3-formyl-1H-indol-5-yl)pyridine-4-carboxamide
CID 150453175
5-(3-methylphenyl)-1H-indole-3-carbaldehyde
CID 4186285

Frequently Asked Questions

What is the IUPAC name of N-[(3-formyl-1H-indol-5-yl)methyl]acetamide?
The IUPAC name of N-[(3-formyl-1H-indol-5-yl)methyl]acetamide (CID 22139326) is N-[(3-formyl-1H-indol-5-yl)methyl]acetamide.
What is the SMILES notation for N-[(3-formyl-1H-indol-5-yl)methyl]acetamide?
The canonical SMILES for N-[(3-formyl-1H-indol-5-yl)methyl]acetamide is CC(=O)NCc1ccc2[nH]cc(C=O)c2c1.
What is the InChIKey of N-[(3-formyl-1H-indol-5-yl)methyl]acetamide?
The InChIKey is BGPZHAUHCUXGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-8(16)13-5-9-2-3-12-11(4-9)10(7-15)6-14-12/h2-4,6-7,14H,5H2,1H3,(H,13,16).
What are the key properties of N-[(3-formyl-1H-indol-5-yl)methyl]acetamide?
N-[(3-formyl-1H-indol-5-yl)methyl]acetamide has a molecular weight of 216.24 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-formyl-1H-indol-5-yl)methyl]acetamide is sourced from PubChem (CID 22139326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).