N-(2,3-dihydro-1H-inden-5-yl)-N-methylcarbamoyl chloride

C11H12ClNO — CID 115194463

IUPACN-(2,3-dihydro-1H-inden-5-yl)-N-methylcarbamoyl chloride
SMILESCN(C(=O)Cl)c1ccc2c(c1)CCC2
InChIInChI=1S/C11H12ClNO/c1-13(11(12)14)10-6-5-8-3-2-4-9(8)7-10/h5-7H,2-4H2,1H3
InChIKeyTZZKXUGZXLBLQH-UHFFFAOYSA-N
MW209.68 g/mol
LogP2.97
Rot. Bonds1

About N-(2,3-dihydro-1H-inden-5-yl)-N-methylcarbamoyl chloride

N-(2,3-dihydro-1H-inden-5-yl)-N-methylcarbamoyl chloride (PubChem CID 115194463) has the molecular formula C11H12ClNO and a molecular weight of 209.68 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-N-methylcarbamoyl chloride.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-N-methylcarbamoyl chloride
PubChem CID115194463
Molecular FormulaC11H12ClNO
Molecular Weight209.68 g/mol
Exact Mass209.06
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-N-methylcarbamoyl chloride
SMILESCN(C(=O)Cl)c1ccc2c(c1)CCC2
InChIInChI=1S/C11H12ClNO/c1-13(11(12)14)10-6-5-8-3-2-4-9(8)7-10/h5-7H,2-4H2,1H3
InChIKeyTZZKXUGZXLBLQH-UHFFFAOYSA-N
XLogP2.97
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.68
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N-(2,3-dihydro-1H-inden-5-yl)-N-methylacetamide
CID 115190982
1-cyano-N-(2,3-dihydro-1H-inden-5-yl)-N-methylformamide
CID 115171972
N-methyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 10536160
N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylcarbamoyl chloride
CID 115194555
N-(2,3-dihydro-1H-inden-5-yl)-N-methyl-1-(methylaminomethyl)cyclopropane-1-carboxamide
CID 115182949
N-(2,3-dihydro-1H-inden-5-yl)-N-methyl-2-pyrrolidin-2-ylacetamide
CID 115160127
4-amino-N,3-dimethyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 115156272
N-(methoxymethyl)-N-methyl-2,3-dihydro-1H-inden-5-amine
CID 115258329
4-[2,3-dihydro-1H-inden-5-yl(methyl)amino]-3-hydroxybutanoic acid
CID 115122929
methyl 4-[2,3-dihydro-1H-inden-5-yl(methyl)amino]butanoate
CID 115233351
N-(2,3-dihydro-1H-inden-5-yl)-N-methylazetidin-3-amine
CID 117040535
N-(methoxymethyl)-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine
CID 115258314

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-N-methylcarbamoyl chloride?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-N-methylcarbamoyl chloride (CID 115194463) is N-(2,3-dihydro-1H-inden-5-yl)-N-methylcarbamoyl chloride.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-N-methylcarbamoyl chloride?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-N-methylcarbamoyl chloride is CN(C(=O)Cl)c1ccc2c(c1)CCC2.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-N-methylcarbamoyl chloride?
The InChIKey is TZZKXUGZXLBLQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO/c1-13(11(12)14)10-6-5-8-3-2-4-9(8)7-10/h5-7H,2-4H2,1H3.
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-N-methylcarbamoyl chloride?
N-(2,3-dihydro-1H-inden-5-yl)-N-methylcarbamoyl chloride has a molecular weight of 209.68 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-yl)-N-methylcarbamoyl chloride is sourced from PubChem (CID 115194463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).