1-carbamoyl-2,3-dihydro-1H-indene-2-carboxylic acid

C11H11NO3 — CID 91536565

IUPAC1-carbamoyl-2,3-dihydro-1H-indene-2-carboxylic acid
SMILESNC(=O)C1c2ccccc2CC1C(=O)O
InChIInChI=1S/C11H11NO3/c12-10(13)9-7-4-2-1-3-6(7)5-8(9)11(14)15/h1-4,8-9H,5H2,(H2,12,13)(H,14,15)
InChIKeySAKFXSCQJVRBDM-UHFFFAOYSA-N
MW205.21 g/mol
LogP0.51
Rot. Bonds2

About 1-carbamoyl-2,3-dihydro-1H-indene-2-carboxylic acid

1-carbamoyl-2,3-dihydro-1H-indene-2-carboxylic acid (PubChem CID 91536565) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 1-carbamoyl-2,3-dihydro-1H-indene-2-carboxylic acid.

Molecular Properties

Compound Name1-carbamoyl-2,3-dihydro-1H-indene-2-carboxylic acid
PubChem CID91536565
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name1-carbamoyl-2,3-dihydro-1H-indene-2-carboxylic acid
SMILESNC(=O)C1c2ccccc2CC1C(=O)O
InChIInChI=1S/C11H11NO3/c12-10(13)9-7-4-2-1-3-6(7)5-8(9)11(14)15/h1-4,8-9H,5H2,(H2,12,13)(H,14,15)
InChIKeySAKFXSCQJVRBDM-UHFFFAOYSA-N
XLogP0.51
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dihydro-1H-indene-1,2-dicarboxylic acid
CID 21427203
2-N-methyl-2,3-dihydro-1H-indene-1,2-dicarboxamide
CID 68988883
(1R,2S)-1-amino-2,3-dihydro-1H-indene-2-carboxylic acid
CID 70327463
CID 173274923
CID 173274923
(1S,2R)-1-N,1-N-dimethyl-2,3-dihydro-1H-indene-1,2-dicarboxamide
CID 10681080
(1S,2S)-2-hydroxy-2,3-dihydro-1H-indene-1-carboxylic acid
CID 15696258
tert-butyl-[(1S,2R)-1-carbamoyl-2,3-dihydro-1H-inden-2-yl]carbamic acid
CID 69235919
1-formamido-2,3-dihydro-1H-indene-2-carboxylic acid
CID 87579467
(2R,3R)-3-methyl-4-methylsulfonyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 144958529
[(1R,2S)-1-carboxy-2,3-dihydro-1H-inden-2-yl]-hydroxy-oxophosphanium
CID 7720814
[(1S,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]-phenylmethanone
CID 15420517
8-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 45084610

Frequently Asked Questions

What is the IUPAC name of 1-carbamoyl-2,3-dihydro-1H-indene-2-carboxylic acid?
The IUPAC name of 1-carbamoyl-2,3-dihydro-1H-indene-2-carboxylic acid (CID 91536565) is 1-carbamoyl-2,3-dihydro-1H-indene-2-carboxylic acid.
What is the SMILES notation for 1-carbamoyl-2,3-dihydro-1H-indene-2-carboxylic acid?
The canonical SMILES for 1-carbamoyl-2,3-dihydro-1H-indene-2-carboxylic acid is NC(=O)C1c2ccccc2CC1C(=O)O.
What is the InChIKey of 1-carbamoyl-2,3-dihydro-1H-indene-2-carboxylic acid?
The InChIKey is SAKFXSCQJVRBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c12-10(13)9-7-4-2-1-3-6(7)5-8(9)11(14)15/h1-4,8-9H,5H2,(H2,12,13)(H,14,15).
What are the key properties of 1-carbamoyl-2,3-dihydro-1H-indene-2-carboxylic acid?
1-carbamoyl-2,3-dihydro-1H-indene-2-carboxylic acid has a molecular weight of 205.21 g/mol, XLogP of 0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamoyl-2,3-dihydro-1H-indene-2-carboxylic acid is sourced from PubChem (CID 91536565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).