2-[1-(2-bromoethyl)cyclopropyl]acetonitrile

C7H10BrN — CID 175253416

IUPAC2-[1-(2-bromoethyl)cyclopropyl]acetonitrile
SMILESN#CCC1(CCBr)CC1
InChIInChI=1S/C7H10BrN/c8-5-3-7(1-2-7)4-6-9/h1-5H2
InChIKeyOTETWJPZXLLEAT-UHFFFAOYSA-N
MW188.07 g/mol
LogP2.47
Rot. Bonds3

About 2-[1-(2-bromoethyl)cyclopropyl]acetonitrile

2-[1-(2-bromoethyl)cyclopropyl]acetonitrile (PubChem CID 175253416) has the molecular formula C7H10BrN and a molecular weight of 188.07 g/mol. Its IUPAC name is 2-[1-(2-bromoethyl)cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[1-(2-bromoethyl)cyclopropyl]acetonitrile
PubChem CID175253416
Molecular FormulaC7H10BrN
Molecular Weight188.07 g/mol
Exact Mass187.00
IUPAC Name2-[1-(2-bromoethyl)cyclopropyl]acetonitrile
SMILESN#CCC1(CCBr)CC1
InChIInChI=1S/C7H10BrN/c8-5-3-7(1-2-7)4-6-9/h1-5H2
InChIKeyOTETWJPZXLLEAT-UHFFFAOYSA-N
XLogP2.47
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.07
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[1-[[bis(cyanomethyl)amino]methyl]cyclopropyl]acetonitrile
CID 65492583
2-[1-(methylaminomethyl)cyclopropyl]acetonitrile
CID 65482515
2-[1-[(2-methylpropylamino)methyl]cyclopropyl]acetonitrile
CID 65481331
2-[1-(2-hydroxyethylsulfanylmethyl)cyclopropyl]acetonitrile
CID 65496973
2-[1-(azidomethyl)cyclopropyl]acetonitrile
CID 65498011
2-[1-(methylsulfanyloxymethyl)cyclopropyl]acetonitrile
CID 145478638
2-[(1R,4S)-4-bromo-2,2-dimethyl-3-oxo-1-bicyclo[2.2.1]heptanyl]acetonitrile
CID 97036445
2-[1-[(2-methylbutylamino)methyl]cyclopropyl]acetonitrile
CID 65498175
methyl 2-[[1-(cyanomethyl)cyclopropyl]methyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 65498072
2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]cyclopropyl]acetonitrile
CID 113426894
2-[1-(3-aminopropylsulfanylmethyl)cyclopropyl]acetonitrile
CID 66218795
2-[(1R,4R)-4,7,7-trimethyl-3-oxo-1-bicyclo[2.2.1]heptanyl]acetonitrile
CID 129374674

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-bromoethyl)cyclopropyl]acetonitrile?
The IUPAC name of 2-[1-(2-bromoethyl)cyclopropyl]acetonitrile (CID 175253416) is 2-[1-(2-bromoethyl)cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[1-(2-bromoethyl)cyclopropyl]acetonitrile?
The canonical SMILES for 2-[1-(2-bromoethyl)cyclopropyl]acetonitrile is N#CCC1(CCBr)CC1.
What is the InChIKey of 2-[1-(2-bromoethyl)cyclopropyl]acetonitrile?
The InChIKey is OTETWJPZXLLEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrN/c8-5-3-7(1-2-7)4-6-9/h1-5H2.
What are the key properties of 2-[1-(2-bromoethyl)cyclopropyl]acetonitrile?
2-[1-(2-bromoethyl)cyclopropyl]acetonitrile has a molecular weight of 188.07 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-bromoethyl)cyclopropyl]acetonitrile is sourced from PubChem (CID 175253416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).