(1,1,3-trimethyl-2,3-dihydroinden-4-yl)carbamic acid

C13H17NO2 — CID 67796900

IUPAC(1,1,3-trimethyl-2,3-dihydroinden-4-yl)carbamic acid
SMILESCC1CC(C)(C)c2cccc(NC(=O)O)c21
InChIInChI=1S/C13H17NO2/c1-8-7-13(2,3)9-5-4-6-10(11(8)9)14-12(15)16/h4-6,8,14H,7H2,1-3H3,(H,15,16)
InChIKeyXLQOVKDJNAKIMQ-UHFFFAOYSA-N
MW219.28 g/mol
LogP3.56
Rot. Bonds1

About (1,1,3-trimethyl-2,3-dihydroinden-4-yl)carbamic acid

(1,1,3-trimethyl-2,3-dihydroinden-4-yl)carbamic acid (PubChem CID 67796900) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is (1,1,3-trimethyl-2,3-dihydroinden-4-yl)carbamic acid.

Molecular Properties

Compound Name(1,1,3-trimethyl-2,3-dihydroinden-4-yl)carbamic acid
PubChem CID67796900
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name(1,1,3-trimethyl-2,3-dihydroinden-4-yl)carbamic acid
SMILESCC1CC(C)(C)c2cccc(NC(=O)O)c21
InChIInChI=1S/C13H17NO2/c1-8-7-13(2,3)9-5-4-6-10(11(8)9)14-12(15)16/h4-6,8,14H,7H2,1-3H3,(H,15,16)
InChIKeyXLQOVKDJNAKIMQ-UHFFFAOYSA-N
XLogP3.56
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1,1,3-trimethyl-2,3-dihydroinden-4-yl)carbamic acid?
The IUPAC name of (1,1,3-trimethyl-2,3-dihydroinden-4-yl)carbamic acid (CID 67796900) is (1,1,3-trimethyl-2,3-dihydroinden-4-yl)carbamic acid.
What is the SMILES notation for (1,1,3-trimethyl-2,3-dihydroinden-4-yl)carbamic acid?
The canonical SMILES for (1,1,3-trimethyl-2,3-dihydroinden-4-yl)carbamic acid is CC1CC(C)(C)c2cccc(NC(=O)O)c21.
What is the InChIKey of (1,1,3-trimethyl-2,3-dihydroinden-4-yl)carbamic acid?
The InChIKey is XLQOVKDJNAKIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-8-7-13(2,3)9-5-4-6-10(11(8)9)14-12(15)16/h4-6,8,14H,7H2,1-3H3,(H,15,16).
What are the key properties of (1,1,3-trimethyl-2,3-dihydroinden-4-yl)carbamic acid?
(1,1,3-trimethyl-2,3-dihydroinden-4-yl)carbamic acid has a molecular weight of 219.28 g/mol, XLogP of 3.56, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1,3-trimethyl-2,3-dihydroinden-4-yl)carbamic acid is sourced from PubChem (CID 67796900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).