tert-butyl N-(3-formyl-4-methyl-1H-indol-7-yl)carbamate

C15H18N2O3 — CID 18752863

IUPACtert-butyl N-(3-formyl-4-methyl-1H-indol-7-yl)carbamate
SMILESCc1ccc(NC(=O)OC(C)(C)C)c2[nH]cc(C=O)c12
InChIInChI=1S/C15H18N2O3/c1-9-5-6-11(17-14(19)20-15(2,3)4)13-12(9)10(8-18)7-16-13/h5-8,16H,1-4H3,(H,17,19)
InChIKeyMZPMRRAPFVVVDI-UHFFFAOYSA-N
MW274.32 g/mol
LogP3.64
Rot. Bonds2

About tert-butyl N-(3-formyl-4-methyl-1H-indol-7-yl)carbamate

tert-butyl N-(3-formyl-4-methyl-1H-indol-7-yl)carbamate (PubChem CID 18752863) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is tert-butyl N-(3-formyl-4-methyl-1H-indol-7-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-formyl-4-methyl-1H-indol-7-yl)carbamate
PubChem CID18752863
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Nametert-butyl N-(3-formyl-4-methyl-1H-indol-7-yl)carbamate
SMILESCc1ccc(NC(=O)OC(C)(C)C)c2[nH]cc(C=O)c12
InChIInChI=1S/C15H18N2O3/c1-9-5-6-11(17-14(19)20-15(2,3)4)13-12(9)10(8-18)7-16-13/h5-8,16H,1-4H3,(H,17,19)
InChIKeyMZPMRRAPFVVVDI-UHFFFAOYSA-N
XLogP3.64
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

8-(Di-n-propylamino)-6,7,8,9-tetrahydro-3H-benz(e)indole-1-carbaldehyde
CID 178081
8-(Allyl-propyl-amino)-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde
CID 10379833
1,10-Dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde
CID 44241505
N-butyl-2-(1H-indol-3-yl)-2-oxoacetamide
CID 3149449
8-(Methyl-propyl-amino)-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde
CID 10015980
8-Propylamino-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde
CID 10400189
5-Methylindole-3-carboxaldehyde
CID 259187
4-methyl-1H-indole-3-carbaldehyde
CID 2762437
6-Methylindole-3-carboxaldehyde
CID 4777902
2-(1H-indol-3-yl)-2-oxoacetaldehyde
CID 13284402
(S)-8-Dipropylamino-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde
CID 9948210
(R)-8-Dipropylamino-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde
CID 10870264

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-formyl-4-methyl-1H-indol-7-yl)carbamate?
The IUPAC name of tert-butyl N-(3-formyl-4-methyl-1H-indol-7-yl)carbamate (CID 18752863) is tert-butyl N-(3-formyl-4-methyl-1H-indol-7-yl)carbamate.
What is the SMILES notation for tert-butyl N-(3-formyl-4-methyl-1H-indol-7-yl)carbamate?
The canonical SMILES for tert-butyl N-(3-formyl-4-methyl-1H-indol-7-yl)carbamate is Cc1ccc(NC(=O)OC(C)(C)C)c2[nH]cc(C=O)c12.
What is the InChIKey of tert-butyl N-(3-formyl-4-methyl-1H-indol-7-yl)carbamate?
The InChIKey is MZPMRRAPFVVVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-9-5-6-11(17-14(19)20-15(2,3)4)13-12(9)10(8-18)7-16-13/h5-8,16H,1-4H3,(H,17,19).
What are the key properties of tert-butyl N-(3-formyl-4-methyl-1H-indol-7-yl)carbamate?
tert-butyl N-(3-formyl-4-methyl-1H-indol-7-yl)carbamate has a molecular weight of 274.32 g/mol, XLogP of 3.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-formyl-4-methyl-1H-indol-7-yl)carbamate is sourced from PubChem (CID 18752863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).