1H-inden-2-yl(methyl)carbamic acid

C11H11NO2 — CID 139917777

IUPAC1H-inden-2-yl(methyl)carbamic acid
SMILESCN(C(=O)O)C1=Cc2ccccc2C1
InChIInChI=1S/C11H11NO2/c1-12(11(13)14)10-6-8-4-2-3-5-9(8)7-10/h2-6H,7H2,1H3,(H,13,14)
InChIKeyAMHFFHZQSZTHQN-UHFFFAOYSA-N
MW189.21 g/mol
LogP2.19
Rot. Bonds1

About 1H-inden-2-yl(methyl)carbamic acid

1H-inden-2-yl(methyl)carbamic acid (PubChem CID 139917777) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 1H-inden-2-yl(methyl)carbamic acid.

Molecular Properties

Compound Name1H-inden-2-yl(methyl)carbamic acid
PubChem CID139917777
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name1H-inden-2-yl(methyl)carbamic acid
SMILESCN(C(=O)O)C1=Cc2ccccc2C1
InChIInChI=1S/C11H11NO2/c1-12(11(13)14)10-6-8-4-2-3-5-9(8)7-10/h2-6H,7H2,1H3,(H,13,14)
InChIKeyAMHFFHZQSZTHQN-UHFFFAOYSA-N
XLogP2.19
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-benzyl-N-(3,4-dihydronaphthalen-2-yl)acetamide
CID 10778914
3-acetyl-1H-naphthalen-2-one
CID 143739602
ethane;2-methyl-1H-indene
CID 54388135
dilithium;hydride;2-methyl-1H-indene
CID 174389256
2-methyl-1H-indene;titanium(3+);trichloride
CID 157408587
1H-inden-2-ol;titanium
CID 174394573
hydron;1H-inden-2-ol
CID 174469237
ethyl 1H-indene-2-carboxylate
CID 15378309
N-propan-2-yl-1H-indene-2-carboxamide
CID 141124355
2-methylselanyl-1H-indene
CID 11041997
3-methyl-1H-naphthalen-2-one;molecular hydrogen
CID 145302214
2-(1H-inden-2-yl)butanoate
CID 23033096

Frequently Asked Questions

What is the IUPAC name of 1H-inden-2-yl(methyl)carbamic acid?
The IUPAC name of 1H-inden-2-yl(methyl)carbamic acid (CID 139917777) is 1H-inden-2-yl(methyl)carbamic acid.
What is the SMILES notation for 1H-inden-2-yl(methyl)carbamic acid?
The canonical SMILES for 1H-inden-2-yl(methyl)carbamic acid is CN(C(=O)O)C1=Cc2ccccc2C1.
What is the InChIKey of 1H-inden-2-yl(methyl)carbamic acid?
The InChIKey is AMHFFHZQSZTHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-12(11(13)14)10-6-8-4-2-3-5-9(8)7-10/h2-6H,7H2,1H3,(H,13,14).
What are the key properties of 1H-inden-2-yl(methyl)carbamic acid?
1H-inden-2-yl(methyl)carbamic acid has a molecular weight of 189.21 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-inden-2-yl(methyl)carbamic acid is sourced from PubChem (CID 139917777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).