[2-(hydroxymethyl)-6-(2-methylpropyl)-3H-inden-1-yl]carbamic acid

C15H19NO3 — CID 138683494

IUPAC[2-(hydroxymethyl)-6-(2-methylpropyl)-3H-inden-1-yl]carbamic acid
SMILESCC(C)Cc1ccc2c(c1)C(NC(=O)O)=C(CO)C2
InChIInChI=1S/C15H19NO3/c1-9(2)5-10-3-4-11-7-12(8-17)14(13(11)6-10)16-15(18)19/h3-4,6,9,16-17H,5,7-8H2,1-2H3,(H,18,19)
InChIKeyVCEGVZFPKGGCSB-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.41
Rot. Bonds4

About [2-(hydroxymethyl)-6-(2-methylpropyl)-3H-inden-1-yl]carbamic acid

[2-(hydroxymethyl)-6-(2-methylpropyl)-3H-inden-1-yl]carbamic acid (PubChem CID 138683494) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is [2-(hydroxymethyl)-6-(2-methylpropyl)-3H-inden-1-yl]carbamic acid.

Molecular Properties

Compound Name[2-(hydroxymethyl)-6-(2-methylpropyl)-3H-inden-1-yl]carbamic acid
PubChem CID138683494
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name[2-(hydroxymethyl)-6-(2-methylpropyl)-3H-inden-1-yl]carbamic acid
SMILESCC(C)Cc1ccc2c(c1)C(NC(=O)O)=C(CO)C2
InChIInChI=1S/C15H19NO3/c1-9(2)5-10-3-4-11-7-12(8-17)14(13(11)6-10)16-15(18)19/h3-4,6,9,16-17H,5,7-8H2,1-2H3,(H,18,19)
InChIKeyVCEGVZFPKGGCSB-UHFFFAOYSA-N
XLogP2.41
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)-6-(2-methylpropyl)-3H-inden-1-yl]carbamic acid?
The IUPAC name of [2-(hydroxymethyl)-6-(2-methylpropyl)-3H-inden-1-yl]carbamic acid (CID 138683494) is [2-(hydroxymethyl)-6-(2-methylpropyl)-3H-inden-1-yl]carbamic acid.
What is the SMILES notation for [2-(hydroxymethyl)-6-(2-methylpropyl)-3H-inden-1-yl]carbamic acid?
The canonical SMILES for [2-(hydroxymethyl)-6-(2-methylpropyl)-3H-inden-1-yl]carbamic acid is CC(C)Cc1ccc2c(c1)C(NC(=O)O)=C(CO)C2.
What is the InChIKey of [2-(hydroxymethyl)-6-(2-methylpropyl)-3H-inden-1-yl]carbamic acid?
The InChIKey is VCEGVZFPKGGCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-9(2)5-10-3-4-11-7-12(8-17)14(13(11)6-10)16-15(18)19/h3-4,6,9,16-17H,5,7-8H2,1-2H3,(H,18,19).
What are the key properties of [2-(hydroxymethyl)-6-(2-methylpropyl)-3H-inden-1-yl]carbamic acid?
[2-(hydroxymethyl)-6-(2-methylpropyl)-3H-inden-1-yl]carbamic acid has a molecular weight of 261.32 g/mol, XLogP of 2.41, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)-6-(2-methylpropyl)-3H-inden-1-yl]carbamic acid is sourced from PubChem (CID 138683494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).