(1-acetyl-2,3-dihydrobenzo[g]indol-5-yl) acetate

C16H15NO3 — CID 10683394

IUPAC(1-acetyl-2,3-dihydrobenzo[g]indol-5-yl) acetate
SMILESCC(=O)Oc1cc2c(c3ccccc13)N(C(C)=O)CC2
InChIInChI=1S/C16H15NO3/c1-10(18)17-8-7-12-9-15(20-11(2)19)13-5-3-4-6-14(13)16(12)17/h3-6,9H,7-8H2,1-2H3
InChIKeyKFLKALRCGSVZDF-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.67
Rot. Bonds1

About (1-acetyl-2,3-dihydrobenzo[g]indol-5-yl) acetate

(1-acetyl-2,3-dihydrobenzo[g]indol-5-yl) acetate (PubChem CID 10683394) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is (1-acetyl-2,3-dihydrobenzo[g]indol-5-yl) acetate.

Molecular Properties

Compound Name(1-acetyl-2,3-dihydrobenzo[g]indol-5-yl) acetate
PubChem CID10683394
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name(1-acetyl-2,3-dihydrobenzo[g]indol-5-yl) acetate
SMILESCC(=O)Oc1cc2c(c3ccccc13)N(C(C)=O)CC2
InChIInChI=1S/C16H15NO3/c1-10(18)17-8-7-12-9-15(20-11(2)19)13-5-3-4-6-14(13)16(12)17/h3-6,9H,7-8H2,1-2H3
InChIKeyKFLKALRCGSVZDF-UHFFFAOYSA-N
XLogP2.67
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2,3-Dihydroindol-1-ylmethyl)-7-ethyl-1-benzopyran-2-one
CID 2088448
1-Acetyl-3,4,6-trimethyl-2,3-dihydro-1H-indol-5-yl acetate
CID 382326
1-(2,2-Dimethylpropanoyl)-3,3,4,6-tetramethyl-2,3-dihydro-1H-indol-5-yl acetate
CID 382328
7-Methyl-4-[(2-methyl-2,3-dihydroindol-1-yl)methyl]chromen-2-one
CID 3905682
4-(5-Methoxy-2,3-dihydroindol-1-yl)chromen-2-one
CID 177660525
(1-acetyl-3,3-dimethyl-2H-indol-5-yl) acetate
CID 22711844
Tert-butyl 5-[[4-cyclopentyl-3-(trifluoromethyl)phenyl]methoxy]-2,3-dihydroindole-1-carboxylate
CID 58020467
5-(4-Cyclopropyl-3-trifluoromethylbenzyloxy)-4-methyl-2,3-dihydro-1H-indole-1-carboxylic acid tert-butyl ester
CID 58020497
5-(4-Isopropyl-3-trifluoromethyl-benzyloxy)indoline-1-carboxylic acid tert-butyl ester
CID 58020506
5-(4-Isopropyl-3-trifluoromethoxybenzyloxy)-4-methylindoline-1-carboxylic acid tert-butyl ester
CID 58020534
5-(4-Isobutyl-2-trifluoromethylbenzyloxy)indoline-1-carboxylic acid tert-butyl ester
CID 58020691
5-(4-Isobutyl-3-trifluoromethylbenzyloxy)indoline-1-carboxylic acid tert-butyl ester
CID 58020700

Frequently Asked Questions

What is the IUPAC name of (1-acetyl-2,3-dihydrobenzo[g]indol-5-yl) acetate?
The IUPAC name of (1-acetyl-2,3-dihydrobenzo[g]indol-5-yl) acetate (CID 10683394) is (1-acetyl-2,3-dihydrobenzo[g]indol-5-yl) acetate.
What is the SMILES notation for (1-acetyl-2,3-dihydrobenzo[g]indol-5-yl) acetate?
The canonical SMILES for (1-acetyl-2,3-dihydrobenzo[g]indol-5-yl) acetate is CC(=O)Oc1cc2c(c3ccccc13)N(C(C)=O)CC2.
What is the InChIKey of (1-acetyl-2,3-dihydrobenzo[g]indol-5-yl) acetate?
The InChIKey is KFLKALRCGSVZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c1-10(18)17-8-7-12-9-15(20-11(2)19)13-5-3-4-6-14(13)16(12)17/h3-6,9H,7-8H2,1-2H3.
What are the key properties of (1-acetyl-2,3-dihydrobenzo[g]indol-5-yl) acetate?
(1-acetyl-2,3-dihydrobenzo[g]indol-5-yl) acetate has a molecular weight of 269.30 g/mol, XLogP of 2.67, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-acetyl-2,3-dihydrobenzo[g]indol-5-yl) acetate is sourced from PubChem (CID 10683394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).