methyl 2,3-dihydro-1H-indole-3-carboxylate

C10H11NO2 — CID 45073772

IUPACmethyl 2,3-dihydro-1H-indole-3-carboxylate
SMILESCOC(=O)C1CNc2ccccc21
InChIInChI=1S/C10H11NO2/c1-13-10(12)8-6-11-9-5-3-2-4-7(8)9/h2-5,8,11H,6H2,1H3
InChIKeyQLMBVRCJGIGWBV-UHFFFAOYSA-N
MW177.20 g/mol
LogP1.37
Rot. Bonds1

About methyl 2,3-dihydro-1H-indole-3-carboxylate

methyl 2,3-dihydro-1H-indole-3-carboxylate (PubChem CID 45073772) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is methyl 2,3-dihydro-1H-indole-3-carboxylate.

Molecular Properties

Compound Namemethyl 2,3-dihydro-1H-indole-3-carboxylate
PubChem CID45073772
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Namemethyl 2,3-dihydro-1H-indole-3-carboxylate
SMILESCOC(=O)C1CNc2ccccc21
InChIInChI=1S/C10H11NO2/c1-13-10(12)8-6-11-9-5-3-2-4-7(8)9/h2-5,8,11H,6H2,1H3
InChIKeyQLMBVRCJGIGWBV-UHFFFAOYSA-N
XLogP1.37
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (3S)-2,3-dihydro-1H-indole-3-carboxylate;hydrochloride
CID 172907953
3-methylbutan-2-yl 2,3-dihydro-1H-indole-3-carboxylate
CID 80565850
3-methoxypropyl 2,3-dihydro-1H-indole-3-carboxylate
CID 80565901
pentyl 2,3-dihydro-1H-indole-3-carboxylate
CID 80566075
methyl (2S)-2-(2,3-dihydro-1H-indole-3-carbonylamino)propanoate
CID 80565260
2,3-dihydro-1H-indol-3-yl-(3,5-dimethoxyphenyl)methanone
CID 116594626
2-(2,3-dihydro-1H-indol-3-yl)-2-oxoacetaldehyde;hydrobromide
CID 174877397
N-(1-methoxybutan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80567149
thiophen-2-ylmethyl 2,3-dihydro-1H-indole-3-carboxylate
CID 80565822
2,3-dihydro-1H-indol-3-yl-(3-methoxy-2-pyridinyl)methanone
CID 114054329
(2-chlorophenyl)-(2,3-dihydro-1H-indol-3-yl)methanone
CID 116594499
N-but-3-yn-2-yl-2,3-dihydro-1H-indole-3-carboxamide
CID 114417212

Frequently Asked Questions

What is the IUPAC name of methyl 2,3-dihydro-1H-indole-3-carboxylate?
The IUPAC name of methyl 2,3-dihydro-1H-indole-3-carboxylate (CID 45073772) is methyl 2,3-dihydro-1H-indole-3-carboxylate.
What is the SMILES notation for methyl 2,3-dihydro-1H-indole-3-carboxylate?
The canonical SMILES for methyl 2,3-dihydro-1H-indole-3-carboxylate is COC(=O)C1CNc2ccccc21.
What is the InChIKey of methyl 2,3-dihydro-1H-indole-3-carboxylate?
The InChIKey is QLMBVRCJGIGWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c1-13-10(12)8-6-11-9-5-3-2-4-7(8)9/h2-5,8,11H,6H2,1H3.
What are the key properties of methyl 2,3-dihydro-1H-indole-3-carboxylate?
methyl 2,3-dihydro-1H-indole-3-carboxylate has a molecular weight of 177.20 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,3-dihydro-1H-indole-3-carboxylate is sourced from PubChem (CID 45073772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).