methyl 2-[1-(oxolane-2-carbonyl)-2,3-dihydroindol-3-yl]acetate

C16H19NO4 — CID 110672619

IUPACmethyl 2-[1-(oxolane-2-carbonyl)-2,3-dihydroindol-3-yl]acetate
SMILESCOC(=O)CC1CN(C(=O)C2CCCO2)c2ccccc21
InChIInChI=1S/C16H19NO4/c1-20-15(18)9-11-10-17(13-6-3-2-5-12(11)13)16(19)14-7-4-8-21-14/h2-3,5-6,11,14H,4,7-10H2,1H3
InChIKeyPNTFHFZWGCTOAU-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.86
Rot. Bonds3

About methyl 2-[1-(oxolane-2-carbonyl)-2,3-dihydroindol-3-yl]acetate

methyl 2-[1-(oxolane-2-carbonyl)-2,3-dihydroindol-3-yl]acetate (PubChem CID 110672619) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is methyl 2-[1-(oxolane-2-carbonyl)-2,3-dihydroindol-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(oxolane-2-carbonyl)-2,3-dihydroindol-3-yl]acetate
PubChem CID110672619
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Namemethyl 2-[1-(oxolane-2-carbonyl)-2,3-dihydroindol-3-yl]acetate
SMILESCOC(=O)CC1CN(C(=O)C2CCCO2)c2ccccc21
InChIInChI=1S/C16H19NO4/c1-20-15(18)9-11-10-17(13-6-3-2-5-12(11)13)16(19)14-7-4-8-21-14/h2-3,5-6,11,14H,4,7-10H2,1H3
InChIKeyPNTFHFZWGCTOAU-UHFFFAOYSA-N
XLogP1.86
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[(2S)-oxolane-2-carbonyl]-2,3-dihydroindol-3-yl]acetic acid
CID 104855867
methyl 2-[1-(propan-2-ylcarbamoyl)-2,3-dihydroindol-3-yl]acetate
CID 110672730
methyl 2-[1-(4-methylbenzoyl)-2,3-dihydroindol-3-yl]acetate
CID 52988793
methyl 2-[(3S)-1-(4-methylbenzoyl)-2,3-dihydroindol-3-yl]acetate
CID 52904842
methyl 2-[1-[3-(dimethylamino)benzoyl]-2,3-dihydroindol-3-yl]acetate
CID 110672601
methyl 2-[1-[2-(4-ethoxyphenyl)acetyl]-2,3-dihydroindol-3-yl]acetate
CID 110672592
(3-amino-3,4-dihydro-2H-quinolin-1-yl)-[(2R)-oxolan-2-yl]methanone
CID 104856313
(3-methyl-2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)-(oxolan-2-yl)methanone
CID 107388687
2-[1-[(2S)-pyrrolidine-2-carbonyl]-2,3-dihydroindol-3-yl]acetic acid
CID 80573569
2-[1-(oxolane-3-carbonyl)-2,3-dihydroindol-3-yl]acetic acid
CID 80573868
methyl 2-[1-[(4-methylphenyl)methylsulfonyl]-2,3-dihydroindol-3-yl]acetate
CID 110672711
(4-methyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl)-(oxolan-2-yl)methanone
CID 71933453

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(oxolane-2-carbonyl)-2,3-dihydroindol-3-yl]acetate?
The IUPAC name of methyl 2-[1-(oxolane-2-carbonyl)-2,3-dihydroindol-3-yl]acetate (CID 110672619) is methyl 2-[1-(oxolane-2-carbonyl)-2,3-dihydroindol-3-yl]acetate.
What is the SMILES notation for methyl 2-[1-(oxolane-2-carbonyl)-2,3-dihydroindol-3-yl]acetate?
The canonical SMILES for methyl 2-[1-(oxolane-2-carbonyl)-2,3-dihydroindol-3-yl]acetate is COC(=O)CC1CN(C(=O)C2CCCO2)c2ccccc21.
What is the InChIKey of methyl 2-[1-(oxolane-2-carbonyl)-2,3-dihydroindol-3-yl]acetate?
The InChIKey is PNTFHFZWGCTOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c1-20-15(18)9-11-10-17(13-6-3-2-5-12(11)13)16(19)14-7-4-8-21-14/h2-3,5-6,11,14H,4,7-10H2,1H3.
What are the key properties of methyl 2-[1-(oxolane-2-carbonyl)-2,3-dihydroindol-3-yl]acetate?
methyl 2-[1-(oxolane-2-carbonyl)-2,3-dihydroindol-3-yl]acetate has a molecular weight of 289.33 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(oxolane-2-carbonyl)-2,3-dihydroindol-3-yl]acetate is sourced from PubChem (CID 110672619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).