1H-indol-2-ylmethyl(methyl)carbamic acid;hydrochloride

C11H13ClN2O2 — CID 158279804

IUPAC1H-indol-2-ylmethyl(methyl)carbamic acid;hydrochloride
SMILESCN(Cc1cc2ccccc2[nH]1)C(=O)O.Cl
InChIInChI=1S/C11H12N2O2.ClH/c1-13(11(14)15)7-9-6-8-4-2-3-5-10(8)12-9;/h2-6,12H,7H2,1H3,(H,14,15);1H
InChIKeyNRHHADJRGURVNJ-UHFFFAOYSA-N
MW240.69 g/mol
LogP2.70
Rot. Bonds2

About 1H-indol-2-ylmethyl(methyl)carbamic acid;hydrochloride

1H-indol-2-ylmethyl(methyl)carbamic acid;hydrochloride (PubChem CID 158279804) has the molecular formula C11H13ClN2O2 and a molecular weight of 240.69 g/mol. Its IUPAC name is 1H-indol-2-ylmethyl(methyl)carbamic acid;hydrochloride.

Molecular Properties

Compound Name1H-indol-2-ylmethyl(methyl)carbamic acid;hydrochloride
PubChem CID158279804
Molecular FormulaC11H13ClN2O2
Molecular Weight240.69 g/mol
Exact Mass240.07
IUPAC Name1H-indol-2-ylmethyl(methyl)carbamic acid;hydrochloride
SMILESCN(Cc1cc2ccccc2[nH]1)C(=O)O.Cl
InChIInChI=1S/C11H12N2O2.ClH/c1-13(11(14)15)7-9-6-8-4-2-3-5-10(8)12-9;/h2-6,12H,7H2,1H3,(H,14,15);1H
InChIKeyNRHHADJRGURVNJ-UHFFFAOYSA-N
XLogP2.70
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 157082351
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3-(2,5-dimethyl-3-pyridinyl)-1-(1H-indol-2-ylmethyl)-1-methylurea
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2-(1H-indol-2-ylmethyl)-1,1,3,3-tetramethylguanidine
CID 111087914
3-(1H-indol-2-yl)-2-methylpropanoic acid
CID 22476899
1H-indole-2-carbaldehyde;1-(1H-indol-2-yl)-N,N-dimethylmethanamine
CID 165076117
4-(1H-indol-2-yl)butan-2-one
CID 10954278
1-(1H-indol-2-yl)-N,N-dimethylmethanesulfonamide
CID 173052004
1H-indol-2-ylmethylcarbamic acid
CID 68691362
N-(1H-indol-2-ylmethyl)acetamide
CID 66552376
2-methyl-1H-indole;oxalic acid
CID 161360574
2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(1H-indol-2-ylmethyl)-N-methylacetamide
CID 166231237

Frequently Asked Questions

What is the IUPAC name of 1H-indol-2-ylmethyl(methyl)carbamic acid;hydrochloride?
The IUPAC name of 1H-indol-2-ylmethyl(methyl)carbamic acid;hydrochloride (CID 158279804) is 1H-indol-2-ylmethyl(methyl)carbamic acid;hydrochloride.
What is the SMILES notation for 1H-indol-2-ylmethyl(methyl)carbamic acid;hydrochloride?
The canonical SMILES for 1H-indol-2-ylmethyl(methyl)carbamic acid;hydrochloride is CN(Cc1cc2ccccc2[nH]1)C(=O)O.Cl.
What is the InChIKey of 1H-indol-2-ylmethyl(methyl)carbamic acid;hydrochloride?
The InChIKey is NRHHADJRGURVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2.ClH/c1-13(11(14)15)7-9-6-8-4-2-3-5-10(8)12-9;/h2-6,12H,7H2,1H3,(H,14,15);1H.
What are the key properties of 1H-indol-2-ylmethyl(methyl)carbamic acid;hydrochloride?
1H-indol-2-ylmethyl(methyl)carbamic acid;hydrochloride has a molecular weight of 240.69 g/mol, XLogP of 2.70, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-2-ylmethyl(methyl)carbamic acid;hydrochloride is sourced from PubChem (CID 158279804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).