N-cyclopropyl-N-propylcarbamoyl bromide

C7H12BrNO — CID 140982146

IUPACN-cyclopropyl-N-propylcarbamoyl bromide
SMILESCCCN(C(=O)Br)C1CC1
InChIInChI=1S/C7H12BrNO/c1-2-5-9(7(8)10)6-3-4-6/h6H,2-5H2,1H3
InChIKeyXACBOVSGAFXQHQ-UHFFFAOYSA-N
MW206.08 g/mol
LogP2.38
Rot. Bonds3

About N-cyclopropyl-N-propylcarbamoyl bromide

N-cyclopropyl-N-propylcarbamoyl bromide (PubChem CID 140982146) has the molecular formula C7H12BrNO and a molecular weight of 206.08 g/mol. Its IUPAC name is N-cyclopropyl-N-propylcarbamoyl bromide.

Molecular Properties

Compound NameN-cyclopropyl-N-propylcarbamoyl bromide
PubChem CID140982146
Molecular FormulaC7H12BrNO
Molecular Weight206.08 g/mol
Exact Mass205.01
IUPAC NameN-cyclopropyl-N-propylcarbamoyl bromide
SMILESCCCN(C(=O)Br)C1CC1
InChIInChI=1S/C7H12BrNO/c1-2-5-9(7(8)10)6-3-4-6/h6H,2-5H2,1H3
InChIKeyXACBOVSGAFXQHQ-UHFFFAOYSA-N
XLogP2.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.08
LogP ≤ 52.38
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

4-[cyclopropyl(propyl)amino]-4-oxobutanoic acid
CID 43270140
2-hydroxyethyl N-cyclopropyl-N-propylcarbamate
CID 79346146
N-cyclopropyl-2-(1-methylcyclopropyl)-N-propylacetamide
CID 143729568
(2R)-2-amino-N-cyclopropyl-3-methyl-N-propylbutanamide
CID 79011597
2-[2-[cyclopropyl(propyl)amino]-2-oxoethyl]sulfanylacetic acid
CID 104569015
N-(4-aminocyclohexyl)-2,2,2-trifluoro-N-propylacetamide
CID 79112531
(2R)-2-[[cyclopropyl(propyl)carbamoyl]amino]propanoic acid
CID 78972118
(2S)-2-amino-N-cyclopropyl-N-propylhexanamide
CID 103950188
2-amino-N-cyclopropyl-4-methyl-N-propylpentanamide
CID 43270485
2-[[cyclopropyl(propyl)carbamoyl]-ethylamino]-2-methylpropanoic acid
CID 62821983
N-(4-aminocyclohexyl)-N-propylcyclobutanecarboxamide
CID 79111722
N-(2-bromoethyl)-N-cyclopropylpropanamide
CID 80665634

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-propylcarbamoyl bromide?
The IUPAC name of N-cyclopropyl-N-propylcarbamoyl bromide (CID 140982146) is N-cyclopropyl-N-propylcarbamoyl bromide.
What is the SMILES notation for N-cyclopropyl-N-propylcarbamoyl bromide?
The canonical SMILES for N-cyclopropyl-N-propylcarbamoyl bromide is CCCN(C(=O)Br)C1CC1.
What is the InChIKey of N-cyclopropyl-N-propylcarbamoyl bromide?
The InChIKey is XACBOVSGAFXQHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12BrNO/c1-2-5-9(7(8)10)6-3-4-6/h6H,2-5H2,1H3.
What are the key properties of N-cyclopropyl-N-propylcarbamoyl bromide?
N-cyclopropyl-N-propylcarbamoyl bromide has a molecular weight of 206.08 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-propylcarbamoyl bromide is sourced from PubChem (CID 140982146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).