2,3-dihydro-1H-indol-3-yl carbamate

C9H10N2O2 — CID 91259921

IUPAC2,3-dihydro-1H-indol-3-yl carbamate
SMILESNC(=O)OC1CNc2ccccc21
InChIInChI=1S/C9H10N2O2/c10-9(12)13-8-5-11-7-4-2-1-3-6(7)8/h1-4,8,11H,5H2,(H2,10,12)
InChIKeySHDMZFYEEPZZGY-UHFFFAOYSA-N
MW178.19 g/mol
LogP1.25
Rot. Bonds1

About 2,3-dihydro-1H-indol-3-yl carbamate

2,3-dihydro-1H-indol-3-yl carbamate (PubChem CID 91259921) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is 2,3-dihydro-1H-indol-3-yl carbamate.

Molecular Properties

Compound Name2,3-dihydro-1H-indol-3-yl carbamate
PubChem CID91259921
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name2,3-dihydro-1H-indol-3-yl carbamate
SMILESNC(=O)OC1CNc2ccccc21
InChIInChI=1S/C9H10N2O2/c10-9(12)13-8-5-11-7-4-2-1-3-6(7)8/h1-4,8,11H,5H2,(H2,10,12)
InChIKeySHDMZFYEEPZZGY-UHFFFAOYSA-N
XLogP1.25
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroperoxy-2,3-dihydro-1H-indole
CID 119084044
4-(2,3-dihydro-1H-indol-3-yl)butanamide
CID 67613869
methyl 2,3-dihydro-1H-indole-3-carboxylate
CID 45073772
2,3-dihydro-1H-indol-3-yl 4-(1-propylpiperidin-4-yl)piperidine-1-carboxylate
CID 140563236
(3R)-2,3-dihydro-1H-indol-3-ol
CID 67667878
ethyl (3S)-2,3-dihydro-1H-indole-3-carboxylate;hydrochloride
CID 172907953
methyl (2S)-2-(2,3-dihydro-1H-indole-3-carbonylamino)propanoate
CID 80565260
1,2,3,4-tetrahydroquinolin-4-yl propanoate
CID 70393820
N-(2-amino-2-oxoethyl)-2-(2,3-dihydro-1H-indol-3-yl)-N-methylacetamide
CID 80573654
2-(2,3-dihydro-1H-indol-3-yl)-2-oxoacetaldehyde;hydrobromide
CID 174877397
ethyl 3-(2,3-dihydro-1H-indol-3-yl)propanoate
CID 70913003
propyl 2-(2,3-dihydro-1H-indol-3-yl)acetate
CID 79600080

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-indol-3-yl carbamate?
The IUPAC name of 2,3-dihydro-1H-indol-3-yl carbamate (CID 91259921) is 2,3-dihydro-1H-indol-3-yl carbamate.
What is the SMILES notation for 2,3-dihydro-1H-indol-3-yl carbamate?
The canonical SMILES for 2,3-dihydro-1H-indol-3-yl carbamate is NC(=O)OC1CNc2ccccc21.
What is the InChIKey of 2,3-dihydro-1H-indol-3-yl carbamate?
The InChIKey is SHDMZFYEEPZZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c10-9(12)13-8-5-11-7-4-2-1-3-6(7)8/h1-4,8,11H,5H2,(H2,10,12).
What are the key properties of 2,3-dihydro-1H-indol-3-yl carbamate?
2,3-dihydro-1H-indol-3-yl carbamate has a molecular weight of 178.19 g/mol, XLogP of 1.25, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-indol-3-yl carbamate is sourced from PubChem (CID 91259921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).