1H-inden-1-yl carbamate

C10H9NO2 — CID 57124867

IUPAC1H-inden-1-yl carbamate
SMILESNC(=O)OC1C=Cc2ccccc21
InChIInChI=1S/C10H9NO2/c11-10(12)13-9-6-5-7-3-1-2-4-8(7)9/h1-6,9H,(H2,11,12)
InChIKeyYKIWSTMAKMOTHZ-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.85
Rot. Bonds1

About 1H-inden-1-yl carbamate

1H-inden-1-yl carbamate (PubChem CID 57124867) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is 1H-inden-1-yl carbamate.

Molecular Properties

Compound Name1H-inden-1-yl carbamate
PubChem CID57124867
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC Name1H-inden-1-yl carbamate
SMILESNC(=O)OC1C=Cc2ccccc21
InChIInChI=1S/C10H9NO2/c11-10(12)13-9-6-5-7-3-1-2-4-8(7)9/h1-6,9H,(H2,11,12)
InChIKeyYKIWSTMAKMOTHZ-UHFFFAOYSA-N
XLogP1.85
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1H-inden-1-yl carbamate?
The IUPAC name of 1H-inden-1-yl carbamate (CID 57124867) is 1H-inden-1-yl carbamate.
What is the SMILES notation for 1H-inden-1-yl carbamate?
The canonical SMILES for 1H-inden-1-yl carbamate is NC(=O)OC1C=Cc2ccccc21.
What is the InChIKey of 1H-inden-1-yl carbamate?
The InChIKey is YKIWSTMAKMOTHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2/c11-10(12)13-9-6-5-7-3-1-2-4-8(7)9/h1-6,9H,(H2,11,12).
What are the key properties of 1H-inden-1-yl carbamate?
1H-inden-1-yl carbamate has a molecular weight of 175.19 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-inden-1-yl carbamate is sourced from PubChem (CID 57124867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).