methyl 1-(1-acetyl-2,3-dihydroindol-6-yl)cyclopropane-1-carboxylate

C15H17NO3 — CID 135262906

IUPACmethyl 1-(1-acetyl-2,3-dihydroindol-6-yl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1(c2ccc3c(c2)N(C(C)=O)CC3)CC1
InChIInChI=1S/C15H17NO3/c1-10(17)16-8-5-11-3-4-12(9-13(11)16)15(6-7-15)14(18)19-2/h3-4,9H,5-8H2,1-2H3
InChIKeyQHFWELVXKJHABU-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.80
Rot. Bonds2

About methyl 1-(1-acetyl-2,3-dihydroindol-6-yl)cyclopropane-1-carboxylate

methyl 1-(1-acetyl-2,3-dihydroindol-6-yl)cyclopropane-1-carboxylate (PubChem CID 135262906) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is methyl 1-(1-acetyl-2,3-dihydroindol-6-yl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(1-acetyl-2,3-dihydroindol-6-yl)cyclopropane-1-carboxylate
PubChem CID135262906
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Namemethyl 1-(1-acetyl-2,3-dihydroindol-6-yl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1(c2ccc3c(c2)N(C(C)=O)CC3)CC1
InChIInChI=1S/C15H17NO3/c1-10(17)16-8-5-11-3-4-12(9-13(11)16)15(6-7-15)14(18)19-2/h3-4,9H,5-8H2,1-2H3
InChIKeyQHFWELVXKJHABU-UHFFFAOYSA-N
XLogP1.80
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-acetyl-2,3-dihydroindol-6-yl)cyclopropane-1-carboxylic acid
CID 117364823
methyl 1-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropane-1-carboxylate
CID 116963958
1-acetyl-2,3-dihydroindole-6-carboxylic acid
CID 82609550
methyl 1-(4-bromo-3-fluorophenyl)cyclopropane-1-carboxylate
CID 90298966
1-(6-isocyano-2,3-dihydroindol-1-yl)ethanone
CID 59468783
(E)-3-(1-acetyl-2,3-dihydroindol-6-yl)prop-2-enoic acid
CID 70687221
N-(1-acetyl-2,3-dihydroindol-6-yl)-2-methoxyethanesulfonamide
CID 110307285
dimethyl 1-acetyl-2,3-dihydroquinoline-4,4-dicarboxylate
CID 177432237
(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)thiourea
CID 169358597
methyl 1-(3-methylphenyl)cyclopropane-1-carboxylate
CID 105444214
1-acetyl-N-[(2-methylpropan-2-yl)oxy]-2,3-dihydroindole-6-sulfonamide
CID 82725077
1-[4-(1-acetyl-2,3-dihydroindol-5-yl)piperazin-1-yl]ethanone
CID 82537881

Frequently Asked Questions

What is the IUPAC name of methyl 1-(1-acetyl-2,3-dihydroindol-6-yl)cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-(1-acetyl-2,3-dihydroindol-6-yl)cyclopropane-1-carboxylate (CID 135262906) is methyl 1-(1-acetyl-2,3-dihydroindol-6-yl)cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-(1-acetyl-2,3-dihydroindol-6-yl)cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-(1-acetyl-2,3-dihydroindol-6-yl)cyclopropane-1-carboxylate is COC(=O)C1(c2ccc3c(c2)N(C(C)=O)CC3)CC1.
What is the InChIKey of methyl 1-(1-acetyl-2,3-dihydroindol-6-yl)cyclopropane-1-carboxylate?
The InChIKey is QHFWELVXKJHABU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-10(17)16-8-5-11-3-4-12(9-13(11)16)15(6-7-15)14(18)19-2/h3-4,9H,5-8H2,1-2H3.
What are the key properties of methyl 1-(1-acetyl-2,3-dihydroindol-6-yl)cyclopropane-1-carboxylate?
methyl 1-(1-acetyl-2,3-dihydroindol-6-yl)cyclopropane-1-carboxylate has a molecular weight of 259.31 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(1-acetyl-2,3-dihydroindol-6-yl)cyclopropane-1-carboxylate is sourced from PubChem (CID 135262906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).