N-(2-bromo-3-methoxypropyl)-N,2-dimethylcyclopropane-1-carboxamide

C10H18BrNO2 — CID 80671745

IUPACN-(2-bromo-3-methoxypropyl)-N,2-dimethylcyclopropane-1-carboxamide
SMILESCOCC(Br)CN(C)C(=O)C1CC1C
InChIInChI=1S/C10H18BrNO2/c1-7-4-9(7)10(13)12(2)5-8(11)6-14-3/h7-9H,4-6H2,1-3H3
InChIKeyJOPMKFWFBRYUHE-UHFFFAOYSA-N
MW264.16 g/mol
LogP1.51
Rot. Bonds5

About N-(2-bromo-3-methoxypropyl)-N,2-dimethylcyclopropane-1-carboxamide

N-(2-bromo-3-methoxypropyl)-N,2-dimethylcyclopropane-1-carboxamide (PubChem CID 80671745) has the molecular formula C10H18BrNO2 and a molecular weight of 264.16 g/mol. Its IUPAC name is N-(2-bromo-3-methoxypropyl)-N,2-dimethylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-3-methoxypropyl)-N,2-dimethylcyclopropane-1-carboxamide
PubChem CID80671745
Molecular FormulaC10H18BrNO2
Molecular Weight264.16 g/mol
Exact Mass263.05
IUPAC NameN-(2-bromo-3-methoxypropyl)-N,2-dimethylcyclopropane-1-carboxamide
SMILESCOCC(Br)CN(C)C(=O)C1CC1C
InChIInChI=1S/C10H18BrNO2/c1-7-4-9(7)10(13)12(2)5-8(11)6-14-3/h7-9H,4-6H2,1-3H3
InChIKeyJOPMKFWFBRYUHE-UHFFFAOYSA-N
XLogP1.51
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.16
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-methoxypropyl)-N,2-dimethylcyclopropane-1-carboxamide?
The IUPAC name of N-(2-bromo-3-methoxypropyl)-N,2-dimethylcyclopropane-1-carboxamide (CID 80671745) is N-(2-bromo-3-methoxypropyl)-N,2-dimethylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(2-bromo-3-methoxypropyl)-N,2-dimethylcyclopropane-1-carboxamide?
The canonical SMILES for N-(2-bromo-3-methoxypropyl)-N,2-dimethylcyclopropane-1-carboxamide is COCC(Br)CN(C)C(=O)C1CC1C.
What is the InChIKey of N-(2-bromo-3-methoxypropyl)-N,2-dimethylcyclopropane-1-carboxamide?
The InChIKey is JOPMKFWFBRYUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrNO2/c1-7-4-9(7)10(13)12(2)5-8(11)6-14-3/h7-9H,4-6H2,1-3H3.
What are the key properties of N-(2-bromo-3-methoxypropyl)-N,2-dimethylcyclopropane-1-carboxamide?
N-(2-bromo-3-methoxypropyl)-N,2-dimethylcyclopropane-1-carboxamide has a molecular weight of 264.16 g/mol, XLogP of 1.51, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-3-methoxypropyl)-N,2-dimethylcyclopropane-1-carboxamide is sourced from PubChem (CID 80671745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).