N-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]carbamoyl chloride

C12H14ClNO — CID 115194877

IUPACN-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]carbamoyl chloride
SMILESO=C(Cl)NCCc1ccc2c(c1)CCC2
InChIInChI=1S/C12H14ClNO/c13-12(15)14-7-6-9-4-5-10-2-1-3-11(10)8-9/h4-5,8H,1-3,6-7H2,(H,14,15)
InChIKeyRBJFDYXJWPRIBH-UHFFFAOYSA-N
MW223.70 g/mol
LogP2.67
Rot. Bonds3

About N-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]carbamoyl chloride

N-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]carbamoyl chloride (PubChem CID 115194877) has the molecular formula C12H14ClNO and a molecular weight of 223.70 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]carbamoyl chloride.

Molecular Properties

Compound NameN-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]carbamoyl chloride
PubChem CID115194877
Molecular FormulaC12H14ClNO
Molecular Weight223.70 g/mol
Exact Mass223.08
IUPAC NameN-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]carbamoyl chloride
SMILESO=C(Cl)NCCc1ccc2c(c1)CCC2
InChIInChI=1S/C12H14ClNO/c13-12(15)14-7-6-9-4-5-10-2-1-3-11(10)8-9/h4-5,8H,1-3,6-7H2,(H,14,15)
InChIKeyRBJFDYXJWPRIBH-UHFFFAOYSA-N
XLogP2.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.70
LogP ≤ 52.67
H-Bond Donors ≤ 51
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

2-amino-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 82495829
N-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]cyclobutanecarboxamide
CID 110787783
N-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]cyclopropanecarboxamide
CID 110787330
ethyl N-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]carbamate
CID 110787782
N-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(hydroxymethyl)butanamide
CID 115186693
3-amino-2-methyl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
CID 115153778
N-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyridine-4-carboxamide;hydrochloride
CID 110787335
3-(2,3-dihydro-1H-inden-5-yl)propanoic acid
CID 12646159
6-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 19914431
N-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]carbamoyl chloride
CID 115194905
methyl 3-[2-(2,3-dihydro-1H-inden-5-yl)ethylamino]propanoate
CID 115232486
N-[2-(3,4-dimethoxyphenyl)ethyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 9011514

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]carbamoyl chloride?
The IUPAC name of N-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]carbamoyl chloride (CID 115194877) is N-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]carbamoyl chloride.
What is the SMILES notation for N-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]carbamoyl chloride?
The canonical SMILES for N-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]carbamoyl chloride is O=C(Cl)NCCc1ccc2c(c1)CCC2.
What is the InChIKey of N-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]carbamoyl chloride?
The InChIKey is RBJFDYXJWPRIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO/c13-12(15)14-7-6-9-4-5-10-2-1-3-11(10)8-9/h4-5,8H,1-3,6-7H2,(H,14,15).
What are the key properties of N-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]carbamoyl chloride?
N-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]carbamoyl chloride has a molecular weight of 223.70 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]carbamoyl chloride is sourced from PubChem (CID 115194877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).