N-(2-bromopropyl)cyclopropanecarboxamide

C7H12BrNO — CID 114308592

IUPACN-(2-bromopropyl)cyclopropanecarboxamide
SMILESCC(Br)CNC(=O)C1CC1
InChIInChI=1S/C7H12BrNO/c1-5(8)4-9-7(10)6-2-3-6/h5-6H,2-4H2,1H3,(H,9,10)
InChIKeyHYJPYXQVDHAWHE-UHFFFAOYSA-N
MW206.08 g/mol
LogP1.30
Rot. Bonds3

About N-(2-bromopropyl)cyclopropanecarboxamide

N-(2-bromopropyl)cyclopropanecarboxamide (PubChem CID 114308592) has the molecular formula C7H12BrNO and a molecular weight of 206.08 g/mol. Its IUPAC name is N-(2-bromopropyl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(2-bromopropyl)cyclopropanecarboxamide
PubChem CID114308592
Molecular FormulaC7H12BrNO
Molecular Weight206.08 g/mol
Exact Mass205.01
IUPAC NameN-(2-bromopropyl)cyclopropanecarboxamide
SMILESCC(Br)CNC(=O)C1CC1
InChIInChI=1S/C7H12BrNO/c1-5(8)4-9-7(10)6-2-3-6/h5-6H,2-4H2,1H3,(H,9,10)
InChIKeyHYJPYXQVDHAWHE-UHFFFAOYSA-N
XLogP1.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.08
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromopropyl)bicyclo[3.1.0]hexane-3-carboxamide
CID 114308880
N-(2-hydroxypropyl)cyclopropanecarboxamide
CID 43392750
N-(2-bromo-2-cyclopropylethyl)cyclopropanecarboxamide
CID 114315724
N-(2-bromopropyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 114308612
N-(3,3-dimethyl-2-propan-2-ylbutyl)cyclopropanecarboxamide
CID 58124356
4-tert-butyl-N-(3-chloro-2-methylpropyl)cyclohexane-1-carboxamide
CID 114302699
4-tert-butyl-N-[(2S)-2-hydroxypropyl]cyclohexane-1-carboxamide
CID 83030657
N-(2-chloropropyl)cyclopentanecarboxamide
CID 114296250
N-(2-methylpropyl)cyclooctanecarboxamide
CID 65022959
N-(3-bromo-2-methylpropyl)cyclooctanecarboxamide
CID 114313551
4-N-(2-methylpropyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144258
4-tert-butyl-N-(2-hydroxy-3-methylbutyl)cyclohexane-1-carboxamide
CID 115744551

Frequently Asked Questions

What is the IUPAC name of N-(2-bromopropyl)cyclopropanecarboxamide?
The IUPAC name of N-(2-bromopropyl)cyclopropanecarboxamide (CID 114308592) is N-(2-bromopropyl)cyclopropanecarboxamide.
What is the SMILES notation for N-(2-bromopropyl)cyclopropanecarboxamide?
The canonical SMILES for N-(2-bromopropyl)cyclopropanecarboxamide is CC(Br)CNC(=O)C1CC1.
What is the InChIKey of N-(2-bromopropyl)cyclopropanecarboxamide?
The InChIKey is HYJPYXQVDHAWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12BrNO/c1-5(8)4-9-7(10)6-2-3-6/h5-6H,2-4H2,1H3,(H,9,10).
What are the key properties of N-(2-bromopropyl)cyclopropanecarboxamide?
N-(2-bromopropyl)cyclopropanecarboxamide has a molecular weight of 206.08 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromopropyl)cyclopropanecarboxamide is sourced from PubChem (CID 114308592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).