(4-hydroxy-2,3-dihydro-1H-inden-1-yl)carbamic acid

C10H11NO3 — CID 68983804

IUPAC(4-hydroxy-2,3-dihydro-1H-inden-1-yl)carbamic acid
SMILESO=C(O)NC1CCc2c(O)cccc21
InChIInChI=1S/C10H11NO3/c12-9-3-1-2-6-7(9)4-5-8(6)11-10(13)14/h1-3,8,11-12H,4-5H2,(H,13,14)
InChIKeyZXNNIVYELDACFD-UHFFFAOYSA-N
MW193.20 g/mol
LogP1.65
Rot. Bonds1

About (4-hydroxy-2,3-dihydro-1H-inden-1-yl)carbamic acid

(4-hydroxy-2,3-dihydro-1H-inden-1-yl)carbamic acid (PubChem CID 68983804) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is (4-hydroxy-2,3-dihydro-1H-inden-1-yl)carbamic acid.

Molecular Properties

Compound Name(4-hydroxy-2,3-dihydro-1H-inden-1-yl)carbamic acid
PubChem CID68983804
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name(4-hydroxy-2,3-dihydro-1H-inden-1-yl)carbamic acid
SMILESO=C(O)NC1CCc2c(O)cccc21
InChIInChI=1S/C10H11NO3/c12-9-3-1-2-6-7(9)4-5-8(6)11-10(13)14/h1-3,8,11-12H,4-5H2,(H,13,14)
InChIKeyZXNNIVYELDACFD-UHFFFAOYSA-N
XLogP1.65
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-2,3-dihydro-1H-inden-1-yl)carbamic acid?
The IUPAC name of (4-hydroxy-2,3-dihydro-1H-inden-1-yl)carbamic acid (CID 68983804) is (4-hydroxy-2,3-dihydro-1H-inden-1-yl)carbamic acid.
What is the SMILES notation for (4-hydroxy-2,3-dihydro-1H-inden-1-yl)carbamic acid?
The canonical SMILES for (4-hydroxy-2,3-dihydro-1H-inden-1-yl)carbamic acid is O=C(O)NC1CCc2c(O)cccc21.
What is the InChIKey of (4-hydroxy-2,3-dihydro-1H-inden-1-yl)carbamic acid?
The InChIKey is ZXNNIVYELDACFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c12-9-3-1-2-6-7(9)4-5-8(6)11-10(13)14/h1-3,8,11-12H,4-5H2,(H,13,14).
What are the key properties of (4-hydroxy-2,3-dihydro-1H-inden-1-yl)carbamic acid?
(4-hydroxy-2,3-dihydro-1H-inden-1-yl)carbamic acid has a molecular weight of 193.20 g/mol, XLogP of 1.65, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-2,3-dihydro-1H-inden-1-yl)carbamic acid is sourced from PubChem (CID 68983804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).