acetaldehyde;ethane;methyl 2-(1-methyl-2,3-dihydroindol-5-yl)acetate

C16H25NO3 — CID 142945145

IUPACacetaldehyde;ethane;methyl 2-(1-methyl-2,3-dihydroindol-5-yl)acetate
SMILESCC.CC=O.COC(=O)Cc1ccc2c(c1)CCN2C
InChIInChI=1S/C12H15NO2.C2H4O.C2H6/c1-13-6-5-10-7-9(3-4-11(10)13)8-12(14)15-2;1-2-3;1-2/h3-4,7H,5-6,8H2,1-2H3;2H,1H3;1-2H3
InChIKeyAKMCMURHSYIMIB-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.63
Rot. Bonds2

About acetaldehyde;ethane;methyl 2-(1-methyl-2,3-dihydroindol-5-yl)acetate

acetaldehyde;ethane;methyl 2-(1-methyl-2,3-dihydroindol-5-yl)acetate (PubChem CID 142945145) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is acetaldehyde;ethane;methyl 2-(1-methyl-2,3-dihydroindol-5-yl)acetate.

Molecular Properties

Compound Nameacetaldehyde;ethane;methyl 2-(1-methyl-2,3-dihydroindol-5-yl)acetate
PubChem CID142945145
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Nameacetaldehyde;ethane;methyl 2-(1-methyl-2,3-dihydroindol-5-yl)acetate
SMILESCC.CC=O.COC(=O)Cc1ccc2c(c1)CCN2C
InChIInChI=1S/C12H15NO2.C2H4O.C2H6/c1-13-6-5-10-7-9(3-4-11(10)13)8-12(14)15-2;1-2-3;1-2/h3-4,7H,5-6,8H2,1-2H3;2H,1H3;1-2H3
InChIKeyAKMCMURHSYIMIB-UHFFFAOYSA-N
XLogP2.63
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-amino-3-(1-methyl-2,3-dihydroindol-5-yl)propan-2-one
CID 82506730
methyl 2-(1-benzoyl-2,3-dihydroindol-5-yl)acetate
CID 10732628
methyl 1-[(1-methyl-2,3-dihydroindol-5-yl)methyl]cyclobutane-1-carboxylate
CID 116997109
tert-butyl 2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]acetate
CID 81462941
N-methoxy-1-(1-methyl-2,3-dihydroindol-5-yl)methanamine
CID 82706033
methyl 2-[methyl-(1-methyl-2,3-dihydroindol-5-yl)amino]acetate
CID 82538053
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-2-phenylacetamide
CID 110483038
ethyl N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]carbamate
CID 110479362
2-[2-methoxyethyl-[(1-methyl-2,3-dihydroindol-5-yl)methyl]amino]acetic acid
CID 65067451
N-(2-methoxyethyl)-2-(1-methyl-2,3-dihydroindol-5-yl)ethanamine
CID 64867290
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1-(1-methylpiperidin-4-yl)methanamine
CID 62095155
1-methyl-5-propyl-2,3-dihydroindole
CID 89046240

Frequently Asked Questions

What is the IUPAC name of acetaldehyde;ethane;methyl 2-(1-methyl-2,3-dihydroindol-5-yl)acetate?
The IUPAC name of acetaldehyde;ethane;methyl 2-(1-methyl-2,3-dihydroindol-5-yl)acetate (CID 142945145) is acetaldehyde;ethane;methyl 2-(1-methyl-2,3-dihydroindol-5-yl)acetate.
What is the SMILES notation for acetaldehyde;ethane;methyl 2-(1-methyl-2,3-dihydroindol-5-yl)acetate?
The canonical SMILES for acetaldehyde;ethane;methyl 2-(1-methyl-2,3-dihydroindol-5-yl)acetate is CC.CC=O.COC(=O)Cc1ccc2c(c1)CCN2C.
What is the InChIKey of acetaldehyde;ethane;methyl 2-(1-methyl-2,3-dihydroindol-5-yl)acetate?
The InChIKey is AKMCMURHSYIMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2.C2H4O.C2H6/c1-13-6-5-10-7-9(3-4-11(10)13)8-12(14)15-2;1-2-3;1-2/h3-4,7H,5-6,8H2,1-2H3;2H,1H3;1-2H3.
What are the key properties of acetaldehyde;ethane;methyl 2-(1-methyl-2,3-dihydroindol-5-yl)acetate?
acetaldehyde;ethane;methyl 2-(1-methyl-2,3-dihydroindol-5-yl)acetate has a molecular weight of 279.38 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;ethane;methyl 2-(1-methyl-2,3-dihydroindol-5-yl)acetate is sourced from PubChem (CID 142945145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).