[5-(hydroxymethyl)-2,3-dihydro-1H-inden-2-yl]carbamic acid

C11H13NO3 — CID 67088151

IUPAC[5-(hydroxymethyl)-2,3-dihydro-1H-inden-2-yl]carbamic acid
SMILESO=C(O)NC1Cc2ccc(CO)cc2C1
InChIInChI=1S/C11H13NO3/c13-6-7-1-2-8-4-10(12-11(14)15)5-9(8)3-7/h1-3,10,12-13H,4-6H2,(H,14,15)
InChIKeyXRFJIBJQOXSSLV-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.91
Rot. Bonds2

About [5-(hydroxymethyl)-2,3-dihydro-1H-inden-2-yl]carbamic acid

[5-(hydroxymethyl)-2,3-dihydro-1H-inden-2-yl]carbamic acid (PubChem CID 67088151) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is [5-(hydroxymethyl)-2,3-dihydro-1H-inden-2-yl]carbamic acid.

Molecular Properties

Compound Name[5-(hydroxymethyl)-2,3-dihydro-1H-inden-2-yl]carbamic acid
PubChem CID67088151
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name[5-(hydroxymethyl)-2,3-dihydro-1H-inden-2-yl]carbamic acid
SMILESO=C(O)NC1Cc2ccc(CO)cc2C1
InChIInChI=1S/C11H13NO3/c13-6-7-1-2-8-4-10(12-11(14)15)5-9(8)3-7/h1-3,10,12-13H,4-6H2,(H,14,15)
InChIKeyXRFJIBJQOXSSLV-UHFFFAOYSA-N
XLogP0.91
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [5-(hydroxymethyl)-2,3-dihydro-1H-inden-2-yl]carbamic acid?
The IUPAC name of [5-(hydroxymethyl)-2,3-dihydro-1H-inden-2-yl]carbamic acid (CID 67088151) is [5-(hydroxymethyl)-2,3-dihydro-1H-inden-2-yl]carbamic acid.
What is the SMILES notation for [5-(hydroxymethyl)-2,3-dihydro-1H-inden-2-yl]carbamic acid?
The canonical SMILES for [5-(hydroxymethyl)-2,3-dihydro-1H-inden-2-yl]carbamic acid is O=C(O)NC1Cc2ccc(CO)cc2C1.
What is the InChIKey of [5-(hydroxymethyl)-2,3-dihydro-1H-inden-2-yl]carbamic acid?
The InChIKey is XRFJIBJQOXSSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c13-6-7-1-2-8-4-10(12-11(14)15)5-9(8)3-7/h1-3,10,12-13H,4-6H2,(H,14,15).
What are the key properties of [5-(hydroxymethyl)-2,3-dihydro-1H-inden-2-yl]carbamic acid?
[5-(hydroxymethyl)-2,3-dihydro-1H-inden-2-yl]carbamic acid has a molecular weight of 207.23 g/mol, XLogP of 0.91, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(hydroxymethyl)-2,3-dihydro-1H-inden-2-yl]carbamic acid is sourced from PubChem (CID 67088151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).